Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MPI | P34949 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29953349 | 0.78 | CYP1A2 (0.57) | CYP2A6CYP1A2ALDH1A1ALDH1A3TSHR | |
| SCHEMBL9670965 | 0.78 | CYP1A2 (0.57) | CYP2A6CYP1A2ALDH1A1ALDH1A3TSHR | |
| SCHEMBL8743890 | 0.78 | CYP1A2 (0.62) | CYP2A6CYP1A2ALDH1A1KDM4EMAPT | |
| SCHEMBL29955678 | 0.77 | CYP2A6 (0.59) | CYP2A6CYP1A2ALDH1A1KDM4EMEN1 | |
| SCHEMBL1447842 | 0.77 | CYP2A6 (0.59) | CYP2A6CYP1A2ALDH1A1KDM4EMEN1 | |
| SCHEMBL11746558 | 0.76 | CYP1A2 (0.46) | CYP2A6CYP1A2ALDH1A1KDM4EMEN1 | |
| SCHEMBL3107240 | 0.75 | CYP2A6 (0.56) | CYP2A6CYP1A2ALDH1A1KDM4EMEN1 | |
| SCHEMBL3108419 | 0.75 | CYP2A6 (0.56) | CYP2A6CYP1A2ALDH1A1KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL28902983 | 0.75 | CYP2A6 (0.56) | CYP2A6CYP1A2ALDH1A1KDM4EMEN1 | |
| SCHEMBL2690497 | 0.75 | CYP2A6 (0.61) | CYP2A6CYP1A2ALDH1A1KDM4EMEN1 |
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 |