Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 2/20 | 0.57 |
| ▸ | CAPN1 | P07384 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | CTSK | P43235 | 5/20 | 0.45 |
| ▸ | CTSL | P07711 | 3/20 | 0.45 |
| ▸ | CTSS | P25774 | 2/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL13950861 | 0.88 | PREP (0.56) | PREPCAPN1CYP1A2CYP3A4TSHR | |
| SCHEMBL13928545 | 0.88 | PREP (0.56) | PREPCAPN1CYP1A2CYP3A4TSHR | |
| SCHEMBL13928558 | 0.80 | PREP (0.57) | PREPCAPN1CYP1A2CYP3A4TSHR | |
| SCHEMBL13928470 | 0.80 | PREP (0.74) | PREPCAPN1CYP1A2CYP3A4TSHR | |
| SCHEMBL13928544 | 0.80 | HTR2C (0.54) | CYP2C19ALDH1A1POLB | |
| SCHEMBL9415824 | 0.78 | CAPN1 (0.57) | PREPCAPN1CYP1A2CTSKCTSL | |
| SCHEMBL8206101 | 0.76 | PREP (0.61) | PREPCAPN1CYP1A2CYP3A4CTSK | |
| SCHEMBL8206098 | 0.76 | PREP (0.61) | PREPCAPN1CYP1A2CYP3A4CTSK | |
| SCHEMBL11254461 | 0.76 | PREP (0.61) | PREPCAPN1CYP1A2CYP3A4CTSK | |
| SCHEMBL11261467 | 0.76 | PREP (0.61) | PREPCAPN1CYP1A2CYP3A4CTSK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7358273-B2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-15 | — | — | US | disclosed |