Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.40 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20296883 | 0.89 | KIF11 (0.52) | CYP2A6ALDH1A1TSHRKDM4ERAB9A | |
| SCHEMBL28880208 | 0.81 | CYP2A6 (0.40) | CYP2A6ALDH1A1TSHRKDM4ERAB9A | |
| SCHEMBL7622984 | 0.79 | CYP2A6 (0.46) | CYP2A6ALDH1A1TSHRKDM4ERAB9A | |
| SCHEMBL10537995 | 0.77 | ALDH1A1 (0.55) | CYP2A6ALDH1A1TSHRKDM4EHPGD | |
| SCHEMBL17058726 | 0.76 | KDM4E (0.41) | ALDH1A1KDM4ERAB9APTGS2HPGD | |
| SCHEMBL30408484 | 0.74 | CYP2A6 (0.46) | CYP2A6ALDH1A1TSHRKDM4ERAB9A | |
| SCHEMBL1911800 | 0.74 | MAPT (0.53) | CYP2A6ALDH1A1KDM4ERAB9AHPGD | |
| SCHEMBL3774265 | 0.73 | KIF11 (0.59) | CYP2A6ALDH1A1TSHRKDM4ERAB9A | |
| SCHEMBL19186626 | 0.73 | KIF11 (0.59) | CYP2A6ALDH1A1TSHRKDM4ERAB9A | |
| SCHEMBL327664 | 0.73 | CYP2A6 (0.53) | CYP2A6ALDH1A1TSHRKDM4ERAB9A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1255396-C | Carboxylic acid derivatives containing fused rings | EISAI CO LTD (JP) | 2006-05-10 | — | — | CN | disclosed |
| CN-1211361-C | Carboxylic acid derivatives containing fused rings | EISAI CO LTD (JP) | 2005-07-20 | — | — | CN | disclosed |
| CN-1548428-A | Carboxylic acid derivatives containing fused rings | ������������ʽ���� | 2004-11-24 | — | — | CN | disclosed |
| US-6358995-B1 | AGONIST FOR RETINOIC ACID RECEPTORS; CAN BE SUBSTITUTED FOR RETINOIC ACID AS PREVENTIVE AND THERAPEUTIC DRUGS FOR VARIOUS DISEASES OR CANCERS, SUCH AS ACUTE PROMYELOCYTIC LEUKEMIA. | EISAI CO., LTD. (JP) | 2002-03-19 | — | — | US | disclosed |
| US-6121309-A | SUCH AS 4-(2-(5-(7-FLUORO-4-TRIFLUOROMETHYLBENZOFURAN-2-YL)PYRROLYL)) BENZOIC ACID; RETINOIC ACID RECEPTOR AGONISM | EISAI CO., LTD. (JP) | 2000-09-19 | — | — | US | disclosed |
| US-6110959-A | A RETINOIC ACID RECEPTOR AGONIST | EISAI CO., LTD. (JP) | 2000-08-29 | — | — | US | disclosed |
| CN-1214042-A | Carboxylic acid derivatives containing fused rings | EISAI CO LTD (JP) | 1999-04-14 | — | — | CN | disclosed |
| EP-0889032-A1 | FUSED-RING CARBOXYLIC ACID DERIVATIVES | Eisai Co., Ltd. (JP) | 1999-01-07 | — | — | EP | disclosed |