Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11248186 | 0.89 | SIGMAR1 (0.81) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL10833026 | 0.89 | SIGMAR1 (0.76) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL10832954 | 0.84 | SIGMAR1 (0.57) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL10832556 | 0.81 | SIGMAR1 (0.59) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL10833444 | 0.80 | SIGMAR1 (0.45) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL10833065 | 0.79 | SIGMAR1 (0.59) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL10833667 | 0.79 | OPRD1 (0.60) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL10833292 | 0.78 | SIGMAR1 (0.61) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL10340106 | 0.78 | SIGMAR1 (0.95) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 | |
| SCHEMBL7218504 | 0.78 | SIGMAR1 (1.00) | SIGMAR1CYP3A4CYP2D6TSHRCYP1A2 |
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 |