Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1492936 | 0.81 | CES2 (0.45) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL13067953 | 0.80 | CES2 (0.45) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL2332944 | 0.79 | HSP90AB1 (0.43) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL9587060 | 0.78 | MAPT (0.37) | GSK3BDAOHSP90AA1MAPTNPSR1 | |
| Hydrochloric Acid SCHEMBL27660641 | 0.77 | HSP90AB1 (0.42) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL26349154 | 0.75 | ALDH1A1 (0.42) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL17486404 | 0.75 | DAO (0.34) | DAOMAPTNPSR1CYP3A4 | |
| SCHEMBL27626957 | 0.75 | ALDH1A1 (0.40) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL10861961 | 0.75 | TP53 (0.39) | ALDH1A1DAOMAPTNPSR1CYP3A4 | |
| SCHEMBL11171481 | 0.75 | DAO (0.34) | DAOCYP2C19MAPTNPSR1CYP3A4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021195279-A2 | SMALL MOLECULE INHIBITORS OF ONCOGENIC CHD1L WITH PRECLINICAL ACTIVITY AGAINST COLORECTAL CANCER | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2021-09-30 | — | — | WO | disclosed |
| US-9969709-B2 | Guanidinobenzoic acid ester compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-05-15 | — | — | US | disclosed |
| US-20160031847-A1 | GUANIDINOBENZOIC ACID ESTER COMPOUND | ASTELLAS PHARMA INC. (JP) | 2016-02-04 | — | — | US | disclosed |
| EP-1235777-A2 | VITAMIN D ANALOGUES | Galderma Research & Development, S.N.C. (FR) | 2002-09-04 | — | — | EP | disclosed |
| EP-1235824-A1 | VITAMIN D ANALOGUES | Galderma Research & Development, S.N.C. (FR) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001038320-A1 | VITAMIN D ANALOGUES | GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) | 2001-05-31 | — | — | WO | disclosed |
| WO-2001038303-A2 | VITAMIN D ANALOGUES | GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) | 2001-05-31 | — | — | WO | 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 (1 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-20160031847-A1 | GUANIDINOBENZOIC ACID ESTER COMPOUND | SERPINB1, REN, SPINT2 | CES2 2671/4885CES1 355/4885ALDH1A1 1931/4885 |
“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.