Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | STAT1 | P42224 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3507981 | 0.84 | NPC1 (0.49) | PARP1CES2CES1NPC1RAB9A | |
| SCHEMBL18231508 | 0.81 | MAPT (0.56) | PARP1CES2CES1NPC1RAB9A | |
| SCHEMBL1356271 | 0.79 | AKR1C3 (0.52) | PARP1CES2CES1NPC1RAB9A | |
| SCHEMBL1546686 | 0.79 | CES2 (0.50) | PARP1CES2CES1NPC1RAB9A | |
| SCHEMBL3928629 | 0.79 | CNR2 (0.50) | CES2CES1NPC1RAB9ALMNA | |
| SCHEMBL6671614 | 0.76 | CES2 (0.47) | PARP1CES2CES1NPC1RAB9A | |
| SCHEMBL25460833 | 0.75 | NPC1 (0.47) | PARP1CES2CES1NPC1RAB9A | |
| SCHEMBL27403227 | 0.74 | MAOB (0.50) | NPC1RAB9AMAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL13178117 | 0.74 | NPC1 (0.49) | PARP1CES2CES1NPC1RAB9A | |
| SCHEMBL6273920 | 0.74 | CES2 (0.44) | PARP1CES2CES1NPC1RAB9A |
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-6358974-B1 | USED AS AS MODULATORS OF DOPAMINE D.SUB.3 RECEPTORS, IN THERAPY AS ANTIPSYCHOTIC AGENTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-03-19 | — | — | US | disclosed |