Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.43 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5442166 | 0.82 | SLC6A2 (0.47) | SIGMAR1SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL5442165 | 0.82 | SLC6A2 (0.47) | SIGMAR1SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL16213431 | 0.78 | EPHX1 (0.46) | SIGMAR1SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL15939446 | 0.78 | SLC6A2 (0.44) | SIGMAR1SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL14304846 | 0.78 | EPHX1 (0.46) | SIGMAR1SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL2404477 | 0.77 | MIF (0.59) | TAAR1HTR2AHRH1MIFTRPA1 | |
| SCHEMBL919175 | 0.77 | MIF (0.59) | TAAR1HTR2AHRH1MIFTRPA1 | |
| SCHEMBL4199092 | 0.76 | TRPA1 (0.45) | TAAR1HTR2AHRH1MIFTRPA1 | |
| SCHEMBL17399250 | 0.75 | EPHX1 (0.45) | SIGMAR1SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL919486 | 0.74 | MIF (0.46) | SIGMAR1TAAR1HTR2AHRH1OPRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0763053-A4 | STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE | SMITHKLINE BEECHAM CORP (US) | 1998-09-09 | — | — | EP | disclosed |
| EP-0763053-A1 | STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE | SMITHKLINE BEECHAM CORPORATION (US) | 1997-03-19 | — | — | EP | disclosed |
| WO-1995033761-A1 | STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE | SMITHKLINE BEECHAM CORPORATION (US) | 1995-12-14 | — | — | WO | disclosed |