Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11049774 | 0.87 | SIGMAR1 (0.47) | SIGMAR1CYP3A4CYP2D6CYP1A2TSHR | |
| SCHEMBL3529535 | 0.84 | CYP3A4 (0.44) | SIGMAR1CYP3A4CYP2D6CYP1A2TSHR | |
| SCHEMBL11239127 | 0.81 | OPRD1 (0.62) | SIGMAR1CYP3A4CYP2D6CYP1A2TSHR | |
| SCHEMBL10833663 | 0.79 | SIGMAR1 (0.36) | SIGMAR1CYP3A4CYP2D6CYP1A2TSHR | |
| SCHEMBL11050517 | 0.78 | SIGMAR1 (0.47) | SIGMAR1CYP3A4CYP2D6CYP1A2TSHR | |
| SCHEMBL11050521 | 0.78 | SIGMAR1 (0.47) | SIGMAR1CYP3A4CYP2D6CYP1A2TSHR | |
| SCHEMBL11090038 | 0.77 | SIGMAR1 (0.46) | SIGMAR1CYP3A4CYP2D6CYP1A2TSHR | |
| SCHEMBL11049181 | 0.74 | SIGMAR1 (0.43) | SIGMAR1CYP3A4CYP2D6CYP1A2TSHR | |
| SCHEMBL8005704 | 0.74 | OPRD1 (0.75) | SIGMAR1CYP3A4CYP2D6CYP1A2TSHR | |
| SCHEMBL6952306 | 0.74 | OPRD1 (0.75) | SIGMAR1CYP3A4CYP2D6CYP1A2TSHR |
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-4466977-A | N-[2-Amino(oxy- or thia- group-substituted-cycloaliphatic)]benzeneacetamides and -benzamide analgesics | THE UPJOHN COMPANY (US) | 1984-08-21 | — | — | US | disclosed |