Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 6/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 5/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5823566 | 0.83 | ADORA3 (1.00) | ADORA3SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL29794081 | 0.78 | ADORA1 (0.49) | ADORA3SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL6216600 | 0.78 | ADORA2A (0.67) | ADORA3SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL4758529 | 0.77 | ADORA2A (0.68) | ADORA3SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL29794056 | 0.76 | ADORA2A (0.54) | ADORA3SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL30393625 | 0.75 | NPC1 (0.63) | ADORA3SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL5821433 | 0.67 | ADORA1 (0.78) | ADORA3SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL644506 | 0.66 | SMN1; SMN2 (1.00) | SMN1; SMN2NPC1RAB9AALDH1A1TSHR | |
| SCHEMBL4760138 | 0.65 | KDM4E (0.61) | ADORA3SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL11642264 | 0.65 | ADORA3 (0.47) | ADORA3SMN1; SMN2NPC1RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1549319-A2 | PHARMACEUTICALLY ACTIVE COMPOUNDS HAVING A TRICYCLIC PYRAZOLOTRIAZOLOPYRIMIDINE RING STRUCTURE AND METHODS OF USE | King Pharmaceuticals Research and Development Inc. (US) | 2005-07-06 | — | — | EP | disclosed |
| WO-2003101455-A2 | PHARMACEUTICALLY ACTIVE COMPOUNDS HAVING A TRICYCLIC PYRAZOLOTRIAZOLOPYRIMIDINE RING STRUCTURE AND METHODS OF USE | KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) | 2003-12-11 | — | — | WO | disclosed |