Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 8/20 | 0.58 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.52 |
| ▸ | ANPEP | P15144 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ALPI | P09923 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | XIAP | P98170 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1169184 | 1.00 | TACR1 (0.58) | TACR1EPHX1SLC6A2TAAR1SLC6A4 | |
| SCHEMBL9536448 | 0.83 | EPHX1 (0.70) | EPHX1SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL24017042 | 0.83 | EPHX1 (0.70) | EPHX1SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL4978886 | 0.82 | DPP4 (0.56) | TACR1EPHX1SLC6A2TAAR1SLC6A4 | |
| Hydrochloric Acid SCHEMBL7677665 | 0.80 | DPP4 (0.54) | TACR1EPHX1SLC6A2TAAR1SLC6A4 | |
| SCHEMBL8586074 | 0.78 | TAAR1 (0.59) | EPHX1SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL27502071 | 0.78 | EPHX1 (0.52) | EPHX1SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL4916232 | 0.77 | TAAR1 (0.53) | EPHX1SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL4557627 | 0.77 | TAAR1 (0.53) | EPHX1SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL272604 | 0.76 | EPHX1 (0.61) | EPHX1SLC6A2TAAR1SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7126028-B1 | Process for preparing chiral compounds | THE UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) | 2006-10-24 | — | — | US | disclosed |
| EP-1135349-A1 | PROCESS FOR PREPARING CHIRAL COMPOUNDS | UNIVERSITY OF DURHAM (GB) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000034210-A1 | PROCESS FOR PREPARING CHIRAL COMPOUNDS | UNIVERSITY OF DURHAM (GB) | 2000-06-15 | — | — | WO | disclosed |