Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.70 |
| ▸ | CYP19A1 | P11511 | 10/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | APP | P05067 | 3/20 | 0.56 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| 4,4'-Methylenedianiline SCHEMBL9401894 | 1.00 | CYP3A4 (0.70) | CYP3A4ALDH1A1TSHRTDP1CYP19A1 | |
| SCHEMBL11244660 | 0.84 | CYP19A1 (0.78) | CYP3A4ALDH1A1TDP1CYP19A1MAOA | |
| SCHEMBL7646748 | 0.84 | CYP19A1 (0.78) | CYP3A4ALDH1A1TDP1CYP19A1MAOA | |
| SCHEMBL10459178 | 0.84 | CYP19A1 (0.78) | CYP3A4ALDH1A1TDP1CYP19A1MAOA | |
| SCHEMBL1304762 | 0.84 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1CYP19A1 | |
| SCHEMBL3482770 | 0.84 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1CYP19A1 | |
| SCHEMBL9680836 | 0.84 | CYP19A1 (0.78) | CYP3A4ALDH1A1TDP1CYP19A1MAOA | |
| SCHEMBL8094139 | 0.84 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1CYP19A1 | |
| SCHEMBL65443 | 0.84 | CYP19A1 (0.78) | CYP3A4ALDH1A1TDP1CYP19A1MAOA | |
| SCHEMBL9680840 | 0.84 | CYP19A1 (0.78) | CYP3A4ALDH1A1TDP1CYP19A1MAOA |
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-4801744-A | SELENIUM CATALYST | SOLVAY & CIE (SOCIETE ANONYME) (BE) | 1989-01-31 | — | — | US | disclosed |