Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 3/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 4/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29148813 | 0.78 | ABCG2 (0.50) | ABCG2GAAKDM4EALDH1A1GLA | |
| SCHEMBL10345038 | 0.72 | ALDH1A1 (0.74) | ABCG2GAAKDM4EALDH1A1GLA | |
| SCHEMBL7962579 | 0.68 | KIF11 (0.40) | KIF11PARP1 | |
| SCHEMBL31317794 | 0.68 | KIF11 (0.49) | ABCG2GAAKDM4EALDH1A1GLA | |
| SCHEMBL21981694 | 0.68 | KIF11 (0.49) | ABCG2GAAKDM4EALDH1A1GLA | |
| SCHEMBL10312976 | 0.66 | KIF11 (0.62) | ABCG2GAAKDM4EALDH1A1GLA | |
| SCHEMBL28685441 | 0.65 | GAA (0.57) | ABCG2GAAKDM4EALDH1A1GLA | |
| SCHEMBL13412902 | 0.65 | GAA (0.67) | ABCG2GAAKDM4EALDH1A1GLA | |
| SCHEMBL11032998 | 0.65 | ABCG2 (0.63) | ABCG2GAAKDM4EALDH1A1GLA | |
| SCHEMBL21364627 | 0.65 | CFTR (0.53) | GAAKDM4EALDH1A1GLAHTT |
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-0471516-A1 | Tricyclic heterocyclic derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-02-19 | — | — | EP | disclosed |