Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | SCD | O00767 | 3/20 | 0.45 |
| ▸ | SCD5 | Q86SK9 | 2/20 | 0.45 |
| ▸ | QPCT | Q16769 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11839633 | 0.81 | SCD (0.44) | DRD2DRD4DRD3SCDSCD5 | |
| SCHEMBL25338446 | 0.81 | DRD2 (0.51) | DRD2DRD4DRD3QPCTCHRNB2 | |
| SCHEMBL11841512 | 0.80 | SCD (0.50) | DRD2DRD4DRD3SCDSCD5 | |
| SCHEMBL21834025 | 0.79 | DRD2 (0.47) | DRD2DRD4DRD3QPCTCYP2C19 | |
| SCHEMBL21834029 | 0.79 | MKNK1 (0.43) | DRD2DRD4DRD3QPCTCHRNB2 | |
| SCHEMBL11848067 | 0.78 | SCD5 (0.49) | DRD2DRD4DRD3SCDSCD5 | |
| SCHEMBL4576107 | 0.77 | DRD2 (0.48) | DRD2DRD4DRD3QPCTCHRNB2 | |
| SCHEMBL28663908 | 0.76 | RAB9A (0.53) | DRD2DRD4DRD3SCDSCD5 | |
| SCHEMBL25339145 | 0.74 | CXCR1 (0.48) | DRD2DRD4DRD3QPCTNPC1 | |
| SCHEMBL11783495 | 0.74 | RAB9A (0.54) | DRD2DRD4DRD3CYP2C19CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3957805-A | TREATMENT OF PAIN, MUSCLE SPASMS, ANXIETY, INFLAMMATION, OR TENSION | AMERICAN CYANAMID COMPANY (US) | 1976-05-18 | — | — | US | claimed |
| US-3997530-A | ANALGESIC, ANTIPYRETIC | AMERICAN CYANAMID COMPANY (US) | 1976-12-14 | — | — | US | disclosed |
| US-3957805-A | TREATMENT OF PAIN, MUSCLE SPASMS, ANXIETY, INFLAMMATION, OR TENSION | AMERICAN CYANAMID COMPANY (US) | 1976-05-18 | — | — | US | disclosed |