Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | 0.93 | EPHX2 (0.55) | HPGDADRA2AMCHR1CES2CES1 | |
| SCHEMBL7647879 | 0.93 | EPHX2 (0.59) | HPGDADRA2AMCHR1CES2CES1 | |
| SCHEMBL3170903 | 0.84 | P2RX7 (0.57) | HPGDCES2CES1NPC1RAB9A | |
| SCHEMBL25690510 | 0.83 | HPGD (0.53) | HPGDADRA2AMCHR1KDM1AMAOA | |
| SCHEMBL10639906 | 0.82 | CES2 (0.44) | HPGDADRA2AMCHR1CES2CES1 | |
| SCHEMBL19947326 | 0.78 | HPGD (0.63) | HPGDNPC1RAB9ASMN1; SMN2P2RX7 | |
| SCHEMBL4191547 | 0.77 | HPGD (0.71) | HPGDCES2CES1NPC1RAB9A | |
| SCHEMBL363351 | 0.76 | NPC1 (0.60) | HPGDMCHR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL15228881 | 0.76 | HPGD (0.49) | HPGDKDM1AMAOANPC1RAB9A | |
| SCHEMBL5488770 | 0.76 | HPGD (0.49) | HPGDNPC1RAB9AP2RX7ALDH1A1 |
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-6486349-B1 | Amide therapeutics and methods for treating inflammatory bowel disease | CENTAUR PHARMACEUTICALS, INC. | 2002-11-26 | — | — | US | claimed |
| 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 |