Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | TOP2A | P11388 | 1/20 | 0.40 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7282041 | 1.00 | CTSL (0.45) | CTSLCTSBCTSSCASP1CYP3A4 | |
| SCHEMBL6629350 | 1.00 | CTSL (0.45) | CTSLCTSBCTSSCASP1CYP3A4 | |
| SCHEMBL7594853 | 0.89 | CASP1 (0.48) | CTSLCTSBCTSSCASP1CTRB1 | |
| SCHEMBL5329730 | 0.89 | CASP1 (0.48) | CTSLCTSBCTSSCASP1CTRB1 | |
| SCHEMBL6328905 | 0.89 | CASP1 (0.48) | CTSLCTSBCTSSCASP1CTRB1 | |
| SCHEMBL6577081 | 0.89 | CASP1 (0.48) | CTSLCTSBCTSSCASP1CTRB1 | |
| SCHEMBL7491284 | 0.89 | CASP1 (0.48) | CTSLCTSBCTSSCASP1CTRB1 | |
| SCHEMBL6577088 | 0.89 | CASP1 (0.48) | CTSLCTSBCTSSCASP1CTRB1 | |
| SCHEMBL5230909 | 0.82 | CASP1 (0.52) | CTSLCTSBCTSSCASP1CYP3A4 | |
| SCHEMBL5226937 | 0.81 | PPARA (0.55) | CTSLCTSBCTSSCASP1HDAC1 |
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-5827891-A | FOR TREATMENT OF AIDS, BLOCKING REPLICATION OF HIV VIRUS | AGOURON PHARMACEUTICALS, INC. | 1998-10-27 | — | — | US | disclosed |