Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29996625 | 0.86 | ADORA1 (0.43) | CYP1A2CYP2C19KDM4ECYP2D6TDP1 | |
| SCHEMBL29997103 | 0.81 | KDM4E (0.53) | CYP1A2CYP2C19CYP2C9KDM4ECYP19A1 | |
| SCHEMBL10706756 | 0.75 | ADRB2 (0.65) | CYP1A2CYP2C19CYP2C9KDM4ECYP19A1 | |
| SCHEMBL29997368 | 0.73 | KDM4E (0.51) | CYP1A2CYP2C19CYP2C9KDM4ECYP19A1 | |
| SCHEMBL27610244 | 0.73 | KDM4E (0.51) | CYP1A2CYP2C19CYP2C9KDM4ECYP19A1 | |
| SCHEMBL9561559 | 0.73 | SOAT1 (0.48) | KDM4ESOAT1ADRB2LTA4HL3MBTL1 | |
| SCHEMBL12968482 | 0.73 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9KDM4ECYP19A1 | |
| SCHEMBL16180435 | 0.72 | KDM4E (0.57) | CYP1A2CYP2C19CYP2C9KDM4ECYP19A1 | |
| SCHEMBL19056886 | 0.72 | CYP1A2 (0.45) | CYP1A2CYP2C19CYP2C9KDM4ESOAT1 | |
| SCHEMBL9495395 | 0.72 | PTPN11 (0.46) | KDM4ESOAT1ADRB2LTA4HL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115361948-A | Methods and compositions for inhibiting dihydroorotate dehydrogenase | 俄亥俄州国家创新基金会 | 2022-11-18 | — | — | CN | disclosed |