Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1661394 | 0.84 | EPHX1 (0.47) | EPHX1SLC6A2SLC6A4ALPIPKM | |
| SCHEMBL27651482 | 0.84 | EPHX1 (0.47) | EPHX1SLC6A2SLC6A4ALPIPKM | |
| SCHEMBL1153151 | 0.84 | EPHX1 (0.47) | EPHX1SLC6A2SLC6A4ALPIPKM | |
| SCHEMBL1153125 | 0.84 | EPHX1 (0.47) | EPHX1SLC6A2SLC6A4ALPIPKM | |
| SCHEMBL1661396 | 0.83 | EPHX1 (0.45) | EPHX1SLC6A2SLC6A4ALPIPKM | |
| SCHEMBL1152681 | 0.83 | EPHX1 (0.45) | EPHX1SLC6A2SLC6A4ALPIPKM | |
| SCHEMBL4522844 | 0.81 | OPRM1 (0.44) | EPHX1SLC6A2SLC6A4ALPIPKM | |
| SCHEMBL7522574 | 0.75 | SLC6A2 (0.38) | SLC6A2SLC6A4MEN1ALDH1A1CYP2C9 | |
| SCHEMBL10644950 | 0.73 | EPHX1 (0.47) | EPHX1SLC6A2SLC6A4MEN1ALDH1A1 | |
| SCHEMBL8573972 | 0.73 | ATM (0.37) | SLC6A2SLC6A4MEN1ALDH1A1CYP2C9 |
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-5739336-A | SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS | SYNTEX (U.S.A.) INC. (US) | 1998-04-14 | — | — | US | disclosed |
| WO-1997000872-A1 | 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 1997-01-09 | — | — | WO | disclosed |