Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | TACR2 | P21452 | 2/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.37 |
| ▸ | TAC3 | Q9UHF0 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11249169 | 0.88 | SIGMAR1 (0.73) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL10833543 | 0.84 | SIGMAR1 (0.64) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL10833026 | 0.83 | SIGMAR1 (0.76) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL10832286 | 0.79 | CYP3A4 (0.54) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL10832556 | 0.76 | SIGMAR1 (0.59) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL10833667 | 0.76 | OPRD1 (0.60) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL10833065 | 0.76 | SIGMAR1 (0.59) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL10833292 | 0.76 | SIGMAR1 (0.61) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL10833444 | 0.76 | SIGMAR1 (0.45) | SIGMAR1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL9813889 | 0.75 | SIGMAR1 (0.70) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4598088-A | 2-pyrrolyl-cycloalkyl-amide analgesics | THE UPJOHN COMPANY (US) | 1986-07-01 | — | — | US | disclosed |
| EP-0126612-A1 | 3,4-Dichloro-N-[2-(2,5-dihydro-1H-pyrrol-1-yl)cyclohexyl]-N-methylbenzeneacetamide | THE UPJOHN COMPANY (US) | 1984-11-28 | — | — | EP | disclosed |