Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.55 |
| ▸ | TACR1 | P25103 | 1/20 | 0.54 |
| ▸ | SCN4A | P35499 | 3/20 | 0.49 |
| ▸ | ANPEP | P15144 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 3/20 | 0.45 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL7450422 | 1.00 | EPHX1 (0.55) | EPHX1TACR1SCN4AANPEPMMP2 | |
| SCHEMBL7450433 | 1.00 | EPHX1 (0.55) | EPHX1TACR1SCN4AANPEPMMP2 | |
| SCHEMBL29324444 | 0.87 | EPHX1 (0.61) | EPHX1TACR1SCN4AANPEPMMP2 | |
| SCHEMBL23477855 | 0.81 | SLC15A1 (0.53) | EPHX1TACR1SCN4AANPEPMMP2 | |
| SCHEMBL7369083 | 0.80 | SLC6A4 (0.53) | TACR1PKMTAAR1SLC6A4 | |
| Hydrochloric Acid SCHEMBL21521723 | 0.80 | SLC15A1 (0.51) | EPHX1TACR1SCN4AANPEPMMP2 | |
| SCHEMBL7369087 | 0.80 | SLC6A4 (0.53) | TACR1PKMTAAR1SLC6A4 | |
| SCHEMBL3837560 | 0.80 | CA1 (0.47) | SLC6A4SLC6A3 | |
| SCHEMBL18579714 | 0.79 | TACR1 (0.73) | EPHX1TACR1SCN4AANPEP | |
| SCHEMBL903590 | 0.79 | TACR1 (0.73) | EPHX1TACR1SCN4AANPEP |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2861581-B9 | 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. | BRISTOL MYERS SQUIBB CO (US) | 2017-08-30 | — | — | EP | disclosed |
| EP-2861581-B1 | 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. | BRISTOL MYERS SQUIBB CO (US) | 2017-02-01 | — | — | EP | disclosed |
| US-8889712-B2 | IAP antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-11-18 | — | — | US | disclosed |
| US-8889712-B2 | IAP antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-11-18 | — | — | US | disclosed |
| WO-1997046553-A1 | THROMBIN INHIBITORS | NOVARTIS AG (CH) | 1997-12-11 | — | — | WO | disclosed |