Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 3/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | TACR3 | P29371 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11033978 | 0.83 | CDK5 (0.47) | CDK5CDK5R1NPC1RAB9ATACR3 | |
| SCHEMBL4416792 | 0.81 | MAPT (0.65) | NPC1RAB9AMAPTPARP1GAA | |
| SCHEMBL29963651 | 0.81 | MAPT (0.65) | NPC1RAB9AMAPTPARP1GAA | |
| SCHEMBL10372554 | 0.77 | DHODH (0.50) | CDK5CDK5R1MAPTCCNA2CDK2 | |
| SCHEMBL8586217 | 0.74 | KMT2A (0.66) | CDK5CDK5R1NPC1RAB9AMAPT | |
| SCHEMBL4960341 | 0.73 | USP2 (0.52) | NPC1RAB9APARP1LMNACES2 | |
| SCHEMBL1642906 | 0.72 | KMT2A (0.50) | CDK5CDK5R1RAB9AMAPTPARP1 | |
| SCHEMBL27883175 | 0.72 | HCRTR1 (0.48) | NPC1RAB9ALMNACES2CES1 | |
| SCHEMBL1513045 | 0.72 | CES2 (0.57) | NPC1RAB9AMAPTPARP1GAA | |
| SCHEMBL15628232 | 0.71 | PARP1 (0.53) | CDK5CDK5R1NPC1MAPTPARP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4518603-A | ANTIDEPRESSANTS | A. H. ROBINS COMPANY, INC. (US) | 1985-05-21 | — | — | US | disclosed |