Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20586468 | 0.85 | KDM4E (0.53) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2241970 | 0.83 | TDP1 (0.41) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL26024225 | 0.82 | MAOA (0.49) | KDM4ECYP1A2CYP2C19ALDH1A1HPGD | |
| SCHEMBL12353583 | 0.81 | NR4A2 (0.46) | KDM4ENR4A2CA1CA2ALDH1A1 | |
| SCHEMBL2241827 | 0.81 | CA12 (0.61) | KDM4ENPC1CA1CA2ALDH1A1 | |
| SCHEMBL25315103 | 0.81 | MAPT (0.42) | KDM4ERAB9ACA1CA2CA12 | |
| SCHEMBL19136407 | 0.80 | NR4A2 (0.48) | KDM4ENR4A2RAB9ACA1CA2 | |
| SCHEMBL25316259 | 0.79 | MAOB (0.54) | NR4A2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL382822 | 0.78 | KDM4E (0.66) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30935923 | 0.78 | CA12 (0.48) | KDM4ECA1CA2ALDH1A1HPGD |
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-8389511-B2 | Bicyclic heterocyclic derivative | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2013-03-05 | — | — | US | disclosed |