Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | CCR2 | P41597 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MIF | P14174 | 3/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Alpha-Naphthylisocyanate SCHEMBL374 | 0.81 | CYP1A2 (0.64) | CYP3A4CYP1A2ALDH1A1ABCB11NR3C1 | |
| Alpha-Naphthylisocyanate SCHEMBL29400034 | 0.81 | CYP1A2 (0.64) | CYP3A4CYP1A2ALDH1A1ABCB11NR3C1 | |
| Alpha-Naphthylisocyanate SCHEMBL28223340 | 0.80 | CYP3A4 (0.45) | CYP3A4CYP1A2ALDH1A1ABCB11NR3C1 | |
| Alpha-Naphthylisocyanate SCHEMBL3333508 | 0.79 | CYP1A2 (0.62) | CYP3A4CYP1A2ALDH1A1ABCB11NR3C1 | |
| Phenethyl Isocyanate SCHEMBL5918 | 0.79 | MIF (0.63) | CYP3A4ALDH1A1ADRA2AHPGDALOX15 | |
| Alpha-Naphthylisocyanate SCHEMBL3338004 | 0.78 | CYP1A2 (0.60) | CYP3A4CYP1A2ALDH1A1ABCB11NR3C1 | |
| SCHEMBL9195080 | 0.78 | CYP3A4 (0.50) | CYP3A4CYP1A2ALDH1A1ABCB11NR3C1 | |
| Alpha-Naphthylisocyanate SCHEMBL27296117 | 0.76 | CYP1A2 (0.58) | CYP3A4CYP1A2ALDH1A1ABCB11NR3C1 | |
| SCHEMBL3814088 | 0.75 | CYP3A4 (0.47) | CYP3A4CYP1A2ALDH1A1ABCB11NR3C1 | |
| SCHEMBL714592 | 0.73 | CYP1A2 (0.46) | CYP1A2ALDH1A1HPGDTDP1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1754705-A2 | Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders | Genentech, Inc. (US) | 2007-02-21 | — | — | EP | claimed |