Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | KDM1A | O60341 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.49 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7647584 | 0.97 | EPHX2 (0.55) | EPHX2NPC1RAB9ASMN1; SMN2KDM1A | |
| SCHEMBL7645833 | 0.93 | HPGD (0.55) | EPHX2NPC1RAB9ASMN1; SMN2KDM1A | |
| SCHEMBL10639906 | 0.80 | CES2 (0.44) | EPHX2HPGDADRA2AMCHR1GAA | |
| SCHEMBL3170903 | 0.78 | P2RX7 (0.57) | NPC1RAB9ALMNAHPGDALDH1A1 | |
| SCHEMBL28465600 | 0.78 | NPC1 (0.66) | EPHX2NPC1RAB9ASMN1; SMN2KDM1A | |
| SCHEMBL3455151 | 0.77 | NPC1 (0.69) | EPHX2NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL12181533 | 0.77 | NPC1 (0.69) | EPHX2NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL25690510 | 0.77 | HPGD (0.53) | NPC1RAB9ASMN1; SMN2KDM1AMAOA | |
| SCHEMBL12121141 | 0.76 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2KDM1AMAOA | |
| SCHEMBL3343582 | 0.76 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2KDM1AMAOA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001035950-A2 | BENZAMIDE THERAPEUTICS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE | CENTAUR PHARMACEUTICALS, INC. (US) | 2001-05-25 | — | — | WO | claimed |
| US-6486349-B1 | Amide therapeutics and methods for treating inflammatory bowel disease | CENTAUR PHARMACEUTICALS, INC. | 2002-11-26 | — | — | US | disclosed |
| WO-2001035950-A2 | BENZAMIDE THERAPEUTICS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE | CENTAUR PHARMACEUTICALS, INC. (US) | 2001-05-25 | — | — | WO | disclosed |