Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 4/20 | 0.46 |
| ▸ | CTSB | P07858 | 3/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.45 |
| ▸ | TACR1 | P25103 | 3/20 | 0.44 |
| ▸ | ACE | P12821 | 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 | |
|---|---|---|---|---|
| SCHEMBL17039822 | 0.89 | TACR1 (0.55) | ALDH1A1CTSLCTSBCTSSCTSK | |
| SCHEMBL5689118 | 0.89 | TACR1 (0.55) | ALDH1A1CTSLCTSBCTSSCTSK | |
| SCHEMBL14488100 | 0.89 | TACR1 (0.55) | ALDH1A1CTSLCTSBCTSSCTSK | |
| SCHEMBL29973202 | 0.87 | KLK5 (0.50) | CTSLCTSBCTSSCTSKACE | |
| SCHEMBL30971331 | 0.86 | CASP1 (0.44) | ALDH1A1CASP1TACR1 | |
| SCHEMBL8208600 | 0.85 | CTSB (0.56) | ALDH1A1CTSLCTSBCTSSCTSK | |
| SCHEMBL31418693 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CASP1 | |
| SCHEMBL5352301 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CASP1 | |
| SCHEMBL30442090 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CASP1 | |
| SCHEMBL25148105 | 0.83 | OPRD1 (0.42) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0360258-B1 | Amino acid quinoline and naphthyridine derivatives | ABBOTT LAB (US) | 1996-08-14 | — | — | EP | disclosed |
| US-5057523-A | Water soluble bactericide | ABBOTT LABORATORIES (US) | 1991-10-15 | — | — | US | disclosed |
| US-5057520-A | Water solubility | ABBOTT LABORATORIES (US) | 1991-10-15 | — | — | US | disclosed |
| EP-0360258-A2 | Amino acid quinoline and naphthyridine derivatives | ABBOTT LABORATORIES (US) | 1990-03-28 | — | — | EP | disclosed |
| EP-0295316-A2 | Antitumor amino acid and peptide derivatives of 1,4-bis[ (aminoalkyl and hydroxyaminoalkyl)- amino]-5,8 dihydroxyanthraquinones | AMERICAN CYANAMID COMPANY (US) | 1988-12-21 | — | — | EP | disclosed |
| US-4732970-A | Antitumor amino acid and peptide derivatives of 1,4-bis(aminoalkyl and hydroxy-aminoalkyl)amino)-5,8-dihydroxyanthraquinones | AMERICAN CYANAMID COMPANY (US) | 1988-03-22 | — | — | US | disclosed |