Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.50 |
| ▸ | CASP1 | P29466 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6572317 | 0.98 | PLA2G7 (0.49) | ALDH1A1CASP1TDP1PLA2G7HSD17B10 | |
| SCHEMBL17850800 | 0.92 | ALDH1A1 (0.58) | ALDH1A1CASP1TDP1PLA2G7HSD17B10 | |
| SCHEMBL6011551 | 0.84 | CASP1 (0.56) | ALDH1A1CASP1TDP1PLA2G7HSD17B10 | |
| SCHEMBL3791659 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CASP1TDP1HSD17B10KDM4E | |
| SCHEMBL18131295 | 0.82 | TDP1 (0.65) | ALDH1A1TDP1HSD17B10MAPTSMN1; SMN2 | |
| SCHEMBL29900990 | 0.82 | TDP1 (0.65) | ALDH1A1TDP1HSD17B10MAPTSMN1; SMN2 | |
| SCHEMBL30092397 | 0.82 | PLA2G7 (0.65) | ALDH1A1CASP1TDP1PLA2G7HSD17B10 | |
| SCHEMBL31607621 | 0.82 | PLA2G7 (0.65) | ALDH1A1CASP1TDP1PLA2G7HSD17B10 | |
| SCHEMBL30092409 | 0.82 | TDP1 (0.65) | ALDH1A1TDP1HSD17B10MAPTSMN1; SMN2 | |
| SCHEMBL8848693 | 0.82 | PLA2G7 (0.65) | ALDH1A1CASP1TDP1PLA2G7HSD17B10 |
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-6500213-B1 | Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives | WELLA AKTIENGESELLSCHAFT (DE) | 2002-12-31 | — | — | US | disclosed |