Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4675704 | 0.86 | EPHX1 (0.33) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL8132371 | 0.77 | EPHX1 (0.38) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL8093108 | 0.76 | EPHX1 (0.40) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL1817802 | 0.76 | EPHX1 (0.50) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL4912039 | 0.76 | EPHX1 (0.50) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL1683190 | 0.76 | EPHX1 (0.50) | EPHX1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL2600702 | 0.76 | SIGMAR1 (0.47) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| SCHEMBL1511639 | 0.76 | CYP1A2 (0.41) | EPHX1CYP1A2 | |
| SCHEMBL2225625 | 0.76 | CYP1A2 (0.41) | EPHX1CYP1A2 | |
| SCHEMBL6840473 | 0.76 | SIGMAR1 (0.47) | SLC6A2TAAR1MAOASLC6A4SLC6A3 |
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-2081917-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | Abbott Laboratories (US) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008027932-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-03-06 | — | — | WO | disclosed |