Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8327012 | 0.87 | CYP2A6 (0.46) | CYP1A2CYP3A4ALDH1A1HSD17B10TSHR | |
| SCHEMBL8327915 | 0.84 | CYP2A6 (0.45) | CYP1A2CYP3A4ALDH1A1HSD17B10TSHR | |
| SCHEMBL8327878 | 0.84 | CCNA2 (0.34) | CYP1A2CYP3A4ALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL8327052 | 0.81 | CDK2 (0.35) | CYP1A2CYP3A4ALDH1A1CYP2D6CYP2A6 | |
| SCHEMBL8329431 | 0.81 | CCNA2 (0.44) | CYP1A2CYP3A4TSHRCYP2D6CCNA2 | |
| SCHEMBL8327742 | 0.80 | CCNA2 (0.34) | ALDH1A1CCNA2CDK2KDM4EPOLB | |
| SCHEMBL8326575 | 0.80 | CCNA2 (0.58) | CYP1A2CYP3A4ALDH1A1HSD17B10TSHR | |
| SCHEMBL8325671 | 0.80 | CCNA2 (0.40) | TDP1CCNA2CDK2KDM4E | |
| SCHEMBL8326389 | 0.78 | CCNT1 (0.39) | ALDH1A1CYP2A6CDK2KDM4EMAPT | |
| SCHEMBL14172822 | 0.76 | CCNA2 (0.46) | ALDH1A1CYP2A6CCNA2CDK2LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0915879-A1 | NOVEL COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1999-05-19 | — | — | EP | claimed |
| WO-1998001449-A1 | NOVEL COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1998-01-15 | — | — | WO | claimed |
| EP-0915879-A1 | NOVEL COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998001449-A1 | NOVEL COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1998-01-15 | — | — | WO | disclosed |