Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 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 | |
|---|---|---|---|---|
| SCHEMBL6320160 | 0.84 | TYR (0.39) | ALDH1A1CYP2A6 | |
| SCHEMBL8325507 | 0.78 | TRPA1 (0.50) | ALDH1A1CYP2A6TRPA1 | |
| SCHEMBL1004990 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP2A6KDM4ELMNACYP3A4 | |
| SCHEMBL1253022 | 0.74 | ALDH1A1 (0.58) | ALDH1A1CYP2A6KDM4ELMNACYP3A4 | |
| SCHEMBL3350071 | 0.74 | ALDH1A1 (0.58) | ALDH1A1CYP2A6KDM4ELMNACYP3A4 | |
| SCHEMBL3184498 | 0.74 | ALDH1A1 (0.58) | ALDH1A1CYP2A6KDM4ELMNACYP3A4 | |
| SCHEMBL436098 | 0.74 | HSD17B10 (0.46) | ALDH1A1CYP2A6LMNATRPA1CYP1A2 | |
| SCHEMBL8321285 | 0.73 | TRPA1 (0.49) | ALDH1A1CYP2A6KDM4ETRPA1CYP1A2 | |
| SCHEMBL3422525 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CYP2A6KDM4ELMNACYP3A4 | |
| SCHEMBL543436 | 0.73 | HTR2A (0.47) | ALDH1A1CYP2A6LMNACYP3A4TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6147061-A | ANTIARTHRITIC AGENTS; ANTICANCER AGENTS; ORAL DISEASES | PFIZER INC. (US) | 2000-11-14 | — | — | US | disclosed |
| EP-0821669-A1 | HYDROXAMIC AND CARBOXYLIC ACIDS AS METALLOPROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-02-04 | — | — | EP | disclosed |
| US-5691381-A | ANTAGONIST OF TUMOR NECROSIS FACTOR, ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENT | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-25 | — | — | US | disclosed |