Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8199494 | 0.91 | MAOB (0.46) | ALDH1A1TDP1G6PDMAOBMAPK1 | |
| SCHEMBL69726 | 0.84 | MAOB (0.57) | ALDH1A1MAOBMAOACYP2A6L3MBTL1 | |
| SCHEMBL15527347 | 0.79 | MAOB (0.48) | ALDH1A1TDP1G6PDMAOBMAOA | |
| SCHEMBL3847991 | 0.79 | MAOB (0.48) | ALDH1A1TDP1G6PDMAOBMAOA | |
| SCHEMBL6207299 | 0.79 | MEN1 (0.42) | ALDH1A1MEN1LMNAGAAKMT2A | |
| SCHEMBL3241749 | 0.78 | LMNA (0.42) | ALDH1A1TDP1MAOBMAOAMAPK1 | |
| SCHEMBL4348469 | 0.78 | ESR1 (0.45) | TDP1MAOBMAOACYP1B1TAAR1 | |
| SCHEMBL8840747 | 0.78 | SIGMAR1 (0.44) | ALDH1A1TDP1G6PDMAOBCYP1B1 | |
| SCHEMBL5852576 | 0.78 | MAOB (0.52) | ALDH1A1TDP1MAOBMAOACYP1B1 | |
| SCHEMBL8210813 | 0.78 | NFE2L2 (0.52) | ALDH1A1MAOBMAOACYP2A6L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6030975-A | ANTAGONIST OF ENDOTHELINS, I.E. INHIBITION OF BINDING WITH RECEPTOR; ANTITUMOR AND -CARCINOGENIC AGENTS; SIDE EFFECT REDUCTION | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-29 | — | — | US | disclosed |
| US-5840722-A | ADMINISTERING TO INHIBIT ENDOTHELIN RECEPTORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-11-24 | — | — | US | disclosed |
| US-5703017-A | HERBICIDES, PLANT GROWTH REGULATORS | BASF AKTIENGESELLSCHAFT (DE) | 1997-12-30 | — | — | US | disclosed |
| CN-1121711-A | 3-(hetero)aryl carboxylic acid derivatives, methods of preparing them and intermediates used in their preparation | BASF AG (DE) | 1996-05-01 | — | — | CN | disclosed |