Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | BLM | P54132 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14567040 | 0.81 | TOP1 (0.54) | ADORA3ALDH1A1KDM4EMAPTKMT2A | |
| SCHEMBL29963170 | 0.79 | ALDH1A1 (0.49) | ADORA2AADORA3ADORA1ALDH1A1KDM4E | |
| SCHEMBL1666997 | 0.79 | ALDH1A1 (0.49) | ADORA2AADORA3ADORA1ALDH1A1KDM4E | |
| SCHEMBL10437566 | 0.78 | ALDH1A1 (0.48) | ADORA2AADORA3ADORA1ALDH1A1KDM4E | |
| SCHEMBL14567052 | 0.77 | NQO1 (0.51) | ADORA2AADORA3ADORA1ALDH1A1KDM4E | |
| SCHEMBL14567049 | 0.77 | HTT (0.47) | ADORA2AADORA3ADORA1ALDH1A1KDM4E | |
| SCHEMBL14567042 | 0.75 | TOP1 (0.46) | ADORA2AADORA3ADORA1ALDH1A1KDM4E | |
| SCHEMBL27369443 | 0.74 | PIM1 (0.46) | ADORA2AADORA3ADORA1ALDH1A1KDM4E | |
| SCHEMBL1287104 | 0.74 | TOP1 (0.65) | ADORA2AADORA3ADORA1ALDH1A1KDM4E | |
| SCHEMBL16466070 | 0.74 | ALDH1A1 (0.44) | ADORA2AADORA3ADORA1ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007026041-A2 | COMPUESTOS QUINÓNICOS ANTITUMORALES Y SUS DERIVADOS, PROCEDIMIENTO DE OBTENCIÓN Y SUS APLICACIONES | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2007-03-08 | — | — | WO | disclosed |