Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.49 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | KRAS | P01116 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ACP3 | P15309 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10087246 | 1.00 | PNMT (0.49) | PNMTDAOIDO1TDO2SOS1 | |
| SCHEMBL8259841 | 1.00 | PNMT (0.49) | PNMTDAOIDO1TDO2SOS1 | |
| SCHEMBL17481894 | 0.85 | PNMT (0.49) | PNMTDAOIDO1TDO2SOS1 | |
| SCHEMBL25863567 | 0.84 | PNMT (0.51) | PNMTDAOIDO1TDO2SOS1 | |
| SCHEMBL10087175 | 0.84 | NPSR1 (0.47) | PNMTDAOIDO1TDO2SOS1 | |
| SCHEMBL29600944 | 0.83 | CES2 (0.50) | PNMTDAOIDO1TDO2HTR2A | |
| SCHEMBL17465593 | 0.83 | CES2 (0.50) | PNMTDAOIDO1TDO2HTR2A | |
| SCHEMBL4524501 | 0.83 | CES2 (0.50) | PNMTDAOIDO1TDO2HTR2A | |
| SCHEMBL2538654 | 0.83 | CES2 (0.50) | PNMTDAOIDO1TDO2HTR2A | |
| SCHEMBL6841423 | 0.82 | DAO (0.46) | PNMTDAOIDO1TDO2HTR2A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2817312-B1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA AS (DK) | 2016-02-17 | — | — | EP | disclosed |
| US-9181259-B2 | Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists | LEO PHARMA A/S (DK) | 2015-11-10 | — | — | US | disclosed |
| EP-2817312-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | Leo Pharma A/S (DK) | 2014-12-31 | — | — | EP | disclosed |
| WO-2013124286-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS | LEO PHARMA A/S (DK) | 2013-08-29 | — | — | WO | disclosed |
| US-8470889-B2 | Hybrid-ionone and curcumin molecules as anticancer agents | TRT PHARMA INC. (CA) | 2013-06-25 | — | — | US | disclosed |
| US-20110230488-A1 | HYBRID-IONONE AND CURCUMIN MOLECULES AS ANTICANCER AGENTS | TRT PHARMA INC. (CA) | 2011-09-22 | — | — | US | disclosed |
| WO-2010060214-A1 | HYBRID -IONONE AND CURCUMIN MOLECULES AS ANTICANCER AGENTS | TRT PHARMA INC . (CA) | 2010-06-03 | — | — | WO | disclosed |
| US-7713961-B2 | Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-05-11 | — | — | US | disclosed |
| US-20090325940-A1 | Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-31 | — | — | US | disclosed |
| CN-100413850-C | Chemical compounds | GLAXO GROUP LTD (GB) | 2008-08-27 | — | — | CN | disclosed |
| CN-1391564-A | Chemical compounds | GLAXO GROUP LTD (GB) | 2003-01-15 | — | — | CN | 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 (2 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-20110230488-A1 | HYBRID-IONONE AND CURCUMIN MOLECULES AS ANTICANCER AGENTS | IKBKG, HSD17B11, IKBKE | PNMT 4192/4885DAO 4736/4885IDO1 2269/4885 |
| US-20090325940-A1 | Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof | PSEN1, PSEN2, BACE1 | PNMT 49/4885DAO 93/4885IDO1 768/4885 |
“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.