Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.86 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.86 |
| ▸ | P2RY2 | P41231 | 9/20 | 0.47 |
| ▸ | P2RY6 | Q15077 | 6/20 | 0.47 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.47 |
| ▸ | P2RY4 | P51582 | 3/20 | 0.47 |
| ▸ | POLA1 | P09884 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17451182 | 1.00 | CYP3A4 (0.86) | CYP3A4CYP2C9P2RY2P2RY6P2RY14 | |
| SCHEMBL19283470 | 1.00 | CYP3A4 (0.86) | CYP3A4CYP2C9P2RY2P2RY6P2RY14 | |
| SCHEMBL15876420 | 1.00 | CYP3A4 (0.86) | CYP3A4CYP2C9P2RY2P2RY6P2RY14 | |
| SCHEMBL15876419 | 1.00 | CYP3A4 (0.86) | CYP3A4CYP2C9P2RY2P2RY6P2RY14 | |
| SCHEMBL2525660 | 1.00 | CYP3A4 (0.86) | CYP3A4CYP2C9P2RY2P2RY6P2RY14 | |
| SCHEMBL3755009 | 1.00 | CYP3A4 (0.86) | CYP3A4CYP2C9P2RY2P2RY6P2RY14 | |
| SCHEMBL2525662 | 1.00 | CYP3A4 (0.86) | CYP3A4CYP2C9P2RY2P2RY6P2RY14 | |
| SCHEMBL2525665 | 1.00 | CYP3A4 (0.86) | CYP3A4CYP2C9P2RY2P2RY6P2RY14 | |
| SCHEMBL3755012 | 1.00 | CYP3A4 (0.86) | CYP3A4CYP2C9P2RY2P2RY6P2RY14 | |
| SCHEMBL28720279 | 0.95 | CYP3A4 (0.79) | CYP3A4CYP2C9P2RY2P2RY6P2RY14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014078436-A1 | D-ALANINE ESTER OF SP-NUCLEOSIDE ANALOG | IDENIX PHARMACEUTICALS, INC. (US) | 2014-05-22 | — | — | WO | disclosed |
| US-20110236903-A1 | MATERIALS AND METHODS FOR DETERMINING DIAGNOSIS AND PROGNOSIS OF PROSTATE CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2011-09-29 | — | — | US | disclosed |