Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 15/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL10385256 | 1.00 | SIGMAR1 (0.57) | SIGMAR1OPRK1CYP1A2CYP3A4CYP2D6 | |
| 1,2-Dichlorobenzene SCHEMBL5675142 | 0.82 | OPRK1 (0.64) | SIGMAR1OPRK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL283047 | 0.78 | ALDH1A1 (0.33) | SIGMAR1OPRK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL283046 | 0.78 | ALDH1A1 (0.33) | SIGMAR1OPRK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL284320 | 0.78 | ALDH1A1 (0.33) | SIGMAR1OPRK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7351956 | 0.78 | SIGMAR1 (0.56) | SIGMAR1OPRK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17570407 | 0.77 | SIGMAR1 (0.67) | SIGMAR1OPRK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12648456 | 0.77 | SIGMAR1 (0.67) | SIGMAR1OPRK1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL11529133 | 0.77 | SIGMAR1 (0.39) | SIGMAR1OPRK1 | |
| SCHEMBL10888939 | 0.75 | SIGMAR1 (0.84) | SIGMAR1OPRK1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101686977-B | Therapeutic or prophylactic agent for dyskinesia | TORAY INDUSTRIES | 2012-09-05 | — | — | CN | disclosed |
| CN-101686977-A | Therapeutic or prophylactic agent for dyskinesia | TORAY INDUSTRIES | 2010-03-31 | — | — | CN | disclosed |
| CN-100398154-C | Remedies for psychoneurosis | TORAY INDUSTRIES (JP) | 2008-07-02 | — | — | CN | disclosed |
| CN-1291717-C | Antipruritic | TORAY INDUSTRIES (JP) | 2006-12-27 | — | — | CN | disclosed |
| CN-1180844-C | Antipruritic agent | ������������ʽ���� | 2004-12-22 | — | — | CN | disclosed |
| CN-1535687-A | Antipruritic | ������������ʽ���� | 2004-10-13 | — | — | CN | disclosed |
| CN-1537016-A | Remedies for psychoneurosis | ������������ʽ���� | 2004-10-13 | — | — | CN | disclosed |
| CN-1530111-A | Antipruritic | ������������ʽ���� | 2004-09-22 | — | — | CN | disclosed |
| CN-1214634-A | Antipruritic agent | TORAY INDUSTRIES (JP) | 1999-04-21 | — | — | CN | disclosed |
| US-4891382-A | Method of preventing pancreatitis utilizing 2-amino-cycloaliphatic amides | THE UPJOHN COMPANY (US) | 1990-01-02 | — | — | US | disclosed |
| US-4145435-A | 2-AMINOCYCLOALIPHATIC AMIDE COMPOUNDS | THE UPJOHN COMPANY (US) | 1979-03-20 | — | — | US | disclosed |