Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | TACR2 | P21452 | 2/20 | 0.34 |
| ▸ | TACR1 | P25103 | 2/20 | 0.34 |
| ▸ | TAC3 | Q9UHF0 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 6/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11270308 | 1.00 | SIGMAR1 (0.40) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL10373904 | 0.84 | SIGMAR1 (0.45) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL11267076 | 0.84 | SIGMAR1 (0.45) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL9765832 | 0.84 | SIGMAR1 (0.45) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| Bromide SCHEMBL11267056 | 0.83 | SIGMAR1 (0.44) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| Bromide SCHEMBL11264993 | 0.83 | SIGMAR1 (0.44) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL11267868 | 0.82 | SIGMAR1 (0.47) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL11255591 | 0.79 | SIGMAR1 (0.47) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL11268400 | 0.79 | SIGMAR1 (0.47) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL11090805 | 0.78 | SIGMAR1 (0.46) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR |
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-4359476-A | Adjacently substituted cycloalkane-amide analgesics | THE UPJOHN COMPANY (US) | 1982-11-16 | — | — | US | disclosed |