Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.48 |
| ▸ | CES2 | O00748 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | POLA1 | P09884 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | IAPP | P10997 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 3/20 | 0.37 |
| ▸ | PPARA | Q07869 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL454224 | 0.93 | TRPA1 (0.52) | CES1CES2ALDH1A1TRPA1AKR1B1 | |
| SCHEMBL17867061 | 0.91 | CES2 (0.52) | CES1CES2ALDH1A1TRPA1POLB | |
| Ammonia Solution, Strong SCHEMBL27538867 | 0.91 | TRPA1 (0.50) | CES1CES2ALDH1A1TRPA1AKR1B1 | |
| SCHEMBL4422427 | 0.91 | CES2 (0.52) | CES1CES2ALDH1A1TRPA1POLB | |
| SCHEMBL11747932 | 0.91 | CES2 (0.52) | CES1CES2ALDH1A1TRPA1POLB | |
| SCHEMBL11746072 | 0.91 | CES2 (0.52) | CES1CES2ALDH1A1TRPA1POLB | |
| SCHEMBL3912771 | 0.91 | CES2 (0.52) | CES1CES2ALDH1A1TRPA1POLB | |
| Oxalic Acid SCHEMBL1013866 | 0.87 | AKR1B1 (0.48) | CES1CES2ALDH1A1TRPA1AKR1B1 | |
| SCHEMBL4391467 | 0.84 | — | — | |
| SCHEMBL19599290 | 0.83 | CES1 (0.46) | CES1CES2ALDH1A1TP53TRPA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5331086-A | Deashing process for polyolefins using an alpha,beta-unsaturated ketone | PHILLIPS PETROLEUM COMPANY (US) | 1994-07-19 | — | — | US | claimed |
| EP-2930179-B1 | RUTHENIUM COMPLEX AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING RUTHENIUM-CONTAINING THIN FILM | TOSOH CORP (JP) | 2018-09-05 | — | — | EP | disclosed |
| US-20170210729-A1 | ERK INHIBITORS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2017-07-27 | — | — | US | disclosed |
| US-9694086-B2 | HCV protease inhibitors and uses thereof | CELGENE CAR LLC (BM) | 2017-07-04 | — | — | US | disclosed |
| US-20160368930-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2016-12-22 | — | — | US | disclosed |
| US-20160326216-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | CELGENE CAR LLC (BM) | 2016-11-10 | — | — | US | disclosed |
| US-20160243249-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | CELGENE CAR LLC (BM) | 2016-08-25 | — | — | US | disclosed |
| US-9349601-B2 | Ruthenium complex, method for producing same, and method for producing ruthenium-containing thin film | TOSOH CORPORATION (JP) | 2016-05-24 | — | — | US | disclosed |
| US-20160137610-A1 | Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith | Gatekeeper Pharmaceuticals, Inc. | 2016-05-19 | — | — | US | disclosed |
| US-9296737-B2 | Substituted 2,4-diaminopyrimidines as kinase inhibitors | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-03-29 | — | — | US | disclosed |
| WO-2008152086-A2 | 4,5-DIHYDRO-(1H)-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR MODULATORS | SOLVAY PHARMACEUTICALS B.V. (NL) | 2008-12-18 | — | — | WO | disclosed |
| US-5331086-A | Deashing process for polyolefins using an alpha,beta-unsaturated ketone | PHILLIPS PETROLEUM COMPANY (US) | 1994-07-19 | — | — | US | disclosed |
| EP-0073301-B1 | PROCESS FOR THE PREPARATION OF ALPHA, BETA AND BETA, GAMMA UNSATURATED KETONES | FIRMENICH SA (CH) | 1984-11-21 | — | — | EP | disclosed |
| US-4453011-A | BASIFICATION OF A DIALLYL CARBINOL | FIRMENICH SA (CH) | 1984-06-05 | — | — | US | disclosed |
| EP-0073301-A1 | Process for the preparation of alpha, beta and beta, gamma unsaturated ketones | FIRMENICH SA (CH) | 1983-03-09 | — | — | EP | disclosed |
| US-4226892-A | Flavoring with cycloaliphatic unsaturated ketones | FIRMENICH SA (CH) | 1980-10-07 | — | — | US | disclosed |
| US-4187863-A | Cycloaliphatic unsaturated ketones as odor and taste modifying agents in tobacco products | FIRMENICH SA (CH) | 1980-02-12 | — | — | US | disclosed |
| US-4002684-A | FROM AN ALPHA,BETA-UNSATURATED KETONE AND A VINYLMAGNESIUM HALIDE, COPPER COMPOUND CATALYST | BASF AKTIENGESELLSCHAFT (DT) | 1977-01-11 | — | — | US | disclosed |
| US-3975310-A | PERFUME | FIRMENICH S.A. (CH) | 1976-08-17 | — | — | US | disclosed |
| US-3931326-A | FLAVOR, TASTE, ODOR, PERFUMES | FIRMENICH SA (CH) | 1976-01-06 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160137610-A1 | Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith | EGFR, ERBB2, BRCA1 | CES1 567/4885CES2 1157/4885ALDH1A1 2351/4885 |
| US-20160243249-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | PEPD, CTRL, CTSC | CES1 76/4885CES2 145/4885ALDH1A1 1344/4885 |
| US-20160326216-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | PEPD, CTRL, CTSC | CES1 76/4885CES2 145/4885ALDH1A1 1344/4885 |
| US-20160368930-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | KRAS, HRAS, NRAS | CES1 3108/4885CES2 4000/4885ALDH1A1 2792/4885 |
| US-20170210729-A1 | ERK INHIBITORS AND USES THEREOF | MAP3K20, MAP3K1, MAPK3 | CES1 3085/4885CES2 3619/4885ALDH1A1 2838/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.