Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | FABP1 | P07148 | 1/20 | 0.53 |
| ▸ | FABP6 | P51161 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.46 |
| ▸ | ITGAV | P06756 | 4/20 | 0.46 |
| ▸ | FDPS | P14324 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10885224 | 0.98 | CYP2D6 (0.57) | CYP2D6CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL11169357 | 0.91 | KMT2A (0.54) | CYP2D6CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL11181946 | 0.87 | ITGB3 (0.53) | CYP2D6CYP2C19HTTNPSR1L3MBTL1 | |
| SCHEMBL4281005 | 0.81 | CYP2D6 (0.72) | CYP2D6CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL3265804 | 0.80 | CYP1A2 (0.70) | CYP2D6CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL317566 | 0.80 | ALDH1A1 (0.60) | CYP2D6CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL5517109 | 0.79 | CYP1A2 (0.51) | CYP2D6CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL28657675 | 0.77 | CYP2C19 (0.56) | CYP2D6CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL19874496 | 0.77 | CYP1A2 (0.53) | CYP2D6CYP1A2FABP1FABP6CYP2C19 | |
| SCHEMBL18497856 | 0.77 | CYP2C19 (0.65) | CYP2D6CYP1A2FABP1FABP6CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4405627-A | ANTISPASMODIC AGENTS; MUSCLE RELAXANTS; LOCAL ANESTHETICS | ITALIANA SCHOUM S.P.A. (IT) | 1983-09-20 | — | — | US | claimed |
| US-4405627-A | ANTISPASMODIC AGENTS; MUSCLE RELAXANTS; LOCAL ANESTHETICS | ITALIANA SCHOUM S.P.A. (IT) | 1983-09-20 | — | — | US | disclosed |
| US-4405627-A | ANTISPASMODIC AGENTS; MUSCLE RELAXANTS; LOCAL ANESTHETICS | ITALIANA SCHOUM S.P.A. (IT) | 1983-09-20 | — | — | US | disclosed |
| US-4405627-A | ANTISPASMODIC AGENTS; MUSCLE RELAXANTS; LOCAL ANESTHETICS | ITALIANA SCHOUM S.P.A. (IT) | 1983-09-20 | — | — | US | disclosed |