Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | FYN | P06241 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | AHR | P35869 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL599080 | 0.85 | CYP1A2 (0.54) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 | |
| SCHEMBL8562301 | 0.85 | CYP1A2 (0.54) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 | |
| SCHEMBL599191 | 0.84 | CYP1A2 (0.62) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 | |
| SCHEMBL598859 | 0.83 | CYP1A2 (0.63) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 | |
| SCHEMBL598311 | 0.82 | CYP2A6 (0.56) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 | |
| SCHEMBL598644 | 0.81 | CYP1A2 (0.54) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 | |
| SCHEMBL216959 | 0.80 | CYP2A6 (0.65) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 | |
| SCHEMBL30540087 | 0.80 | CYP2A6 (0.65) | CYP1A2CYP2A6TDP1ALDH1A1HSD17B10 | |
| SCHEMBL17180585 | 0.79 | KIF11 (0.54) | CYP1A2CYP2A6TDP1MAOAHPRT1 | |
| SCHEMBL8840916 | 0.79 | KIF11 (0.54) | CYP1A2CYP2A6TDP1MAOAHPRT1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0705250-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-04-10 | — | — | EP | disclosed |