Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 7/20 | 0.38 |
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL14347730 | 0.91 | ADORA3 (0.43) | ADORA3ADORA2AADORA1NPC1RAB9A | |
| SCHEMBL5357082 | 0.83 | ADORA3 (0.43) | ADORA3ADORA2AADORA1NPC1RAB9A | |
| SCHEMBL2671447 | 0.80 | ADORA3 (0.44) | ADORA3ADORA2AADORA1NPC1RAB9A | |
| SCHEMBL7703870 | 0.77 | ADORA2A (0.50) | ADORA3ADORA2AADORA1NPC1RAB9A | |
| SCHEMBL5492198 | 0.73 | NPC1 (0.40) | ADORA3ADORA2AADORA1NPC1RAB9A | |
| SCHEMBL5360255 | 0.72 | CYP3A4 (0.38) | ADORA3SMN1; SMN2MAPTCYP2C19CYP1A2 | |
| SCHEMBL17973838 | 0.71 | NPC1 (0.70) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL5363993 | 0.71 | AR (0.46) | MAPTKDM4EELANE | |
| SCHEMBL16635591 | 0.70 | NPC1 (0.55) | ADORA3ADORA1NPC1RAB9AALDH1A1 | |
| SCHEMBL5906559 | 0.69 | ADORA3 (0.47) | ADORA3ADORA2AADORA1NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |
| WO-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |