Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 13/20 | 0.48 |
| ▸ | TSHR | P16473 | 10/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4971348 | 0.86 | CYP3A4 (0.50) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL4971545 | 0.81 | CYP3A4 (0.46) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL8267044 | 0.80 | CYP3A4 (0.52) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL5605395 | 0.79 | CASP1 (0.50) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL12937431 | 0.78 | CYP3A4 (0.47) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL5605686 | 0.77 | CASP1 (0.51) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL5605738 | 0.75 | CYP3A4 (0.48) | CYP3A4TSHRALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL14704026 | 0.75 | ATM (0.61) | ATMCTSLCTSBCTSSCTSK | |
| SCHEMBL6841166 | 0.75 | ATM (0.61) | ATMCTSLCTSBCTSSCTSK | |
| SCHEMBL12942877 | 0.75 | ATM (0.61) | ATMCTSLCTSBCTSSCTSK |
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-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |