Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.69 |
| ▸ | TP53 | P04637 | 2/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KIF11 | P52732 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL5983370 | 0.84 | TDP1 (0.48) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| SCHEMBL21373 | 0.84 | TDP1 (0.48) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| Benzidine SCHEMBL29021 | 0.83 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| SCHEMBL258287 | 0.83 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| SCHEMBL2024128 | 0.83 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| Benzidine SCHEMBL720393 | 0.83 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| Benzidine SCHEMBL5140469 | 0.83 | CYP3A4 (1.00) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| Water SCHEMBL7066183 | 0.82 | TDP1 (0.46) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| Hydrochloric Acid SCHEMBL134929 | 0.82 | CYP3A4 (0.46) | CYP3A4ALDH1A1TDP1TP53HSD17B10 | |
| Hydrochloric Acid SCHEMBL992776 | 0.82 | CYP3A4 (0.46) | CYP3A4ALDH1A1TDP1TP53HSD17B10 |
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-5606010-A | REACTING A DIAMINE AND A QUINONE COMPOUND IN PRESENCE OF AN OXIDIZER | Erhan, Semih (US) | 1997-02-25 | — | — | US | claimed |