Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CTSK | P43235 | 8/20 | 0.47 |
| ▸ | CTSS | P25774 | 5/20 | 0.47 |
| ▸ | CTSL | P07711 | 4/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CTSB | P07858 | 3/20 | 0.44 |
| ▸ | PREP | P48147 | 2/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9293963 | 0.81 | CTSK (0.47) | CYP1A2CTSKATMCYP3A4TSHR | |
| SCHEMBL10254007 | 0.80 | CYP1A2 (0.48) | CYP1A2CTSKCTSSCTSLATM | |
| SCHEMBL10253754 | 0.79 | CYP1A2 (0.48) | CYP1A2CTSKCTSSCTSLATM | |
| SCHEMBL25356667 | 0.78 | MEN1 (0.51) | CYP1A2TSHRPREPALDH1A1 | |
| SCHEMBL25356179 | 0.78 | MEN1 (0.51) | CYP1A2TSHRPREPALDH1A1 | |
| SCHEMBL22225460 | 0.77 | CTSK (0.61) | CYP1A2CTSKCTSSCTSLATM | |
| SCHEMBL620790 | 0.77 | CYP1A2 (0.52) | CYP1A2CTSKCTSSCTSLATM | |
| SCHEMBL620641 | 0.77 | CYP1A2 (0.52) | CYP1A2CTSKCTSSCTSLATM | |
| SCHEMBL620791 | 0.77 | CYP1A2 (0.52) | CYP1A2CTSKCTSSCTSLATM | |
| SCHEMBL620643 | 0.77 | CYP1A2 (0.52) | CYP1A2CTSKCTSSCTSLATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-2170815-A2 | RENIN INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2010-04-07 | — | — | EP | disclosed |
| WO-2008156817-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2008-12-24 | — | — | WO | disclosed |