Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL6006586 | 0.91 | SYK (0.48) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL6387979 | 0.90 | TSHR (0.49) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL453290 | 0.86 | ALDH1A1 (0.51) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL29938824 | 0.86 | ALDH1A1 (0.51) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL17560624 | 0.77 | DDX3X (0.56) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL214885 | 0.77 | SYK (0.57) | ALDH1A1SYKTSHRCYP1A2MEN1 | |
| SCHEMBL5715031 | 0.76 | ALDH1A1 (0.52) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL23804831 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CA12CA1CA2CA7 | |
| 3-Aminophenol SCHEMBL94098 | 0.75 | CASP1 (0.73) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL6557096 | 0.74 | CASP1 (0.47) | ALDH1A1TSHRCASP1GAAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0999203-B1 | Novel developer in oxidative hair dyeing | CLAIROL INC (US) | 2003-02-26 | — | — | EP | disclosed |
| EP-0999203-A1 | Novel developer in oxidative hair dyeing | Bristol-Myers Squibb Company (US) | 2000-05-10 | — | — | EP | disclosed |