Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 3/20 | 0.37 |
| ▸ | PGR | P06401 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MIF | P14174 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL72124 | 0.80 | ALOX15 (0.52) | TDP1ALOX15TYMSCA1CA2 | |
| SCHEMBL1486146 | 0.80 | CYP1A2 (0.52) | CYP1A2CYP2A6TDP1L3MBTL1CASP3 | |
| SCHEMBL1486137 | 0.80 | CYP1A2 (0.52) | CYP1A2CYP2A6TDP1L3MBTL1CASP3 | |
| SCHEMBL3717126 | 0.79 | CYP1A2 (0.64) | CYP1A2CYP2A6TDP1L3MBTL1CASP3 | |
| SCHEMBL769280 | 0.78 | ALOX15 (0.55) | TDP1ALOX15TYMSALDH1A1KDM4E | |
| SCHEMBL9557861 | 0.78 | CYP1A2 (0.56) | CYP1A2CYP2A6TDP1L3MBTL1CASP3 | |
| SCHEMBL103 | 0.77 | ALOX15 (0.60) | TDP1ALOX15TYMSALDH1A1KDM4E | |
| SCHEMBL30083328 | 0.77 | ALOX15 (0.60) | TDP1ALOX15TYMSALDH1A1KDM4E | |
| SCHEMBL4960618 | 0.76 | CYP1A2 (0.39) | CYP1A2CYP2A6TDP1ALOX15TYMS | |
| SCHEMBL9243687 | 0.75 | CYP1A2 (0.46) | CYP1A2CYP2A6TDP1L3MBTL1CASP3 |
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-5001243-A | Substituted naphthacene-5, 12-diones | CIBA-GEIGY CORPORATION (US) | 1991-03-19 | — | — | US | disclosed |