Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5793083 | 0.74 | MIF (0.48) | NPC1RAB9AMAPK1KDM4EALDH1A1 | |
| SCHEMBL13145318 | 0.71 | CYP2A6 (0.64) | CYP11B2CYP2A6KDM4EALDH1A1CYP1A2 | |
| SCHEMBL29515584 | 0.71 | CYP2A6 (0.64) | CYP11B2CYP2A6KDM4EALDH1A1CYP1A2 | |
| SCHEMBL9168167 | 0.71 | ALDH1A1 (0.38) | CYP2A6ALDH1A1KMT2A | |
| SCHEMBL9168133 | 0.71 | PTPN1 (0.46) | CYP2A6ALDH1A1KMT2A | |
| SCHEMBL9173922 | 0.71 | PTPN1 (0.43) | ALDH1A1KMT2A | |
| SCHEMBL9175954 | 0.70 | ALDH1A1 (0.47) | NPC1RAB9AALDH1A1 | |
| SCHEMBL6983167 | 0.69 | NPY5R (0.52) | CYP11B2NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL27002480 | 0.69 | ALDH1A1 (0.37) | NPC1RAB9AKDM4EALDH1A1HTT | |
| SCHEMBL24662771 | 0.68 | CYP2A6 (0.58) | CYP11B2NPC1RAB9ARXFP1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006018544-A1 | COMPOSITION CONTAINING A THIOPHENIC OR BENZOTHIOPHENIC COMPOUND AND EXHIBITING A PUMP NORA INHIBITING ACTIVITY | UNIVERSITE CLAUDE BERNARD LYON I (FR) | 2006-02-23 | — | — | WO | claimed |
| WO-2006018544-A1 | COMPOSITION CONTAINING A THIOPHENIC OR BENZOTHIOPHENIC COMPOUND AND EXHIBITING A PUMP NORA INHIBITING ACTIVITY | UNIVERSITE CLAUDE BERNARD LYON I (FR) | 2006-02-23 | — | — | WO | disclosed |