Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7803709 | 1.00 | NPC1 (0.45) | NPC1RAB9ADRD2DRD3DRD4 | |
| SCHEMBL20600221 | 0.86 | RAB9A (0.49) | NPC1RAB9ADRD2DRD3DRD4 | |
| SCHEMBL21311810 | 0.83 | NOTUM (0.44) | AKR1C1NOTUM | |
| SCHEMBL7809957 | 0.81 | NPC1 (0.43) | NPC1RAB9AAKR1C3AKR1C1NOTUM | |
| SCHEMBL20095705 | 0.81 | NOTUM (0.46) | NOTUM | |
| SCHEMBL1061666 | 0.77 | ACMSD (0.39) | — | |
| SCHEMBL8532066 | 0.76 | CYP1A2 (0.36) | NPC1RAB9AAKR1C3AKR1C1NOTUM | |
| SCHEMBL21311678 | 0.76 | HPGD (0.40) | AKR1C3NOTUM | |
| SCHEMBL11512014 | 0.75 | DRD2 (0.52) | DRD2DRD3DRD4 | |
| SCHEMBL11253532 | 0.73 | RAB9A (0.46) | NPC1RAB9AAKR1C3AKR1C1NOTUM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0613465-B1 | 1,3-SUBSTITUTED CYCLOALKENES AND CYCLOALKANES AS CENTRAL NERVOUS SYSTEM AGENTS | WARNER LAMBERT CO (US) | 2001-10-04 | — | — | EP | disclosed |
| US-5409931-A | Dopaminergic, antipsychotic and antihypertensive agents | WARNER-LAMBERT COMPANY (US) | 1995-04-25 | — | — | US | disclosed |
| EP-0613465-A1 | 1,3-SUBSTITUTED CYCLOALKENES AND CYCLOALKANES AS CENTRAL NERVOUS SYSTEM AGENTS | WARNER-LAMBERT COMPANY (US) | 1994-09-07 | — | — | EP | disclosed |
| US-5314896-A | Dopaminergic agents, antipsychotic and hypotensive agents | WARNER-LAMBERT COMPANY (US) | 1994-05-24 | — | — | US | disclosed |
| EP-0545095-A1 | 1,3-Substituted cycloalkenes and cycloalkanes as central nervous system agents | WARNER-LAMBERT COMPANY (US) | 1993-06-09 | — | — | EP | disclosed |
| WO-1993010092-A1 | 1,3-SUBSTITUTED CYCLOALKENES AND CYCLOALKANES AS CENTRAL NERVOUS SYSTEM AGENTS | WARNER-LAMBERT COMPANY (US) | 1993-05-27 | — | — | WO | disclosed |