Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.43 |
| ▸ | GABRD | O14764 | 2/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL28261711 | 0.83 | SIGMAR1 (0.59) | SIGMAR1POLBRXFP1KMT2AABCC1 | |
| Toluene SCHEMBL28172135 | 0.82 | HPGD (0.52) | POLBUSP2ALDH1A1TSHR | |
| Toluene SCHEMBL28325608 | 0.82 | SIGMAR1 (0.50) | SIGMAR1POLBRXFP1KMT2A | |
| Toluene SCHEMBL28870830 | 0.80 | SIGMAR1 (0.47) | SIGMAR1POLBALDH1A1GABRDGABRA1 | |
| Aniline SCHEMBL4529747 | 0.80 | SIGMAR1 (0.56) | SIGMAR1POLBRXFP1KMT2AABCC1 | |
| Methyl Alcohol SCHEMBL27675953 | 0.80 | CA2 (0.52) | SIGMAR1POLBRXFP1 | |
| SCHEMBL17100538 | 0.79 | CA2 (0.56) | SIGMAR1POLBRXFP1ABCC1 | |
| SCHEMBL6961568 | 0.79 | — | — | |
| SCHEMBL15319 | 0.79 | — | — | |
| Toluene SCHEMBL27688858 | 0.78 | CYP2C9 (0.54) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0998281-A1 | KAPPA AGONIST COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND METHOD OF PREVENTION AND TREATMENT OF PRURITUS THEREWITH | Adolor Corporation (US) | 2000-05-10 | — | — | EP | disclosed |
| WO-1999003468-A1 | KAPPA AGONIST COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND METHOD OF PREVENTION AND TREATMENT OF PRURITUS THEREWITH | ADOLOR CORPORATION (US) | 1999-01-28 | — | — | WO | disclosed |