Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 5/20 | 0.48 |
| ▸ | CTSK | P43235 | 2/20 | 0.48 |
| ▸ | CTSL | P07711 | 3/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | KLK7 | P49862 | 1/20 | 0.42 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | RARG | P13631 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8561925 | 0.87 | CTSS (0.50) | CTSSCTSKCTSLCYP3A4RARG | |
| SCHEMBL8100687 | 0.83 | CYP3A4 (0.47) | CYP3A4BACE1KMT2AMAPT | |
| SCHEMBL8556266 | 0.82 | RARG (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8557343 | 0.81 | CTSS (0.48) | CTSSCTSKCTSLKLK5CYP3A4 | |
| SCHEMBL8560537 | 0.81 | CTSK (0.44) | CTSSCTSKCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8103130 | 0.81 | BACE1 (0.42) | CYP3A4BACE1 | |
| SCHEMBL2943917 | 0.77 | CTSS (0.67) | CTSSCTSKCTSLSYKBACE1 | |
| SCHEMBL2943915 | 0.77 | CTSS (0.67) | CTSSCTSKCTSLSYKBACE1 | |
| SCHEMBL8558167 | 0.77 | CTSS (0.40) | CTSSCTSKCTSLCYP3A4RARG | |
| SCHEMBL10626940 | 0.77 | SYK (0.55) | CTSSCTSKCTSLSYKCYP1A2 |
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-5709867-A | TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) | 1998-01-20 | — | — | US | disclosed |