Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | EIF4E | P06730 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20197302 | 0.88 | SMN1; SMN2 (0.46) | CYP1A1CYP1B1CYP1A2KDM4ENPC1 | |
| SCHEMBL20197271 | 0.86 | MEN1 (0.39) | CYP1A1CYP1B1CYP1A2CYP19A1KDM4E | |
| SCHEMBL20197355 | 0.86 | MEN1 (0.53) | KDM4ENPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL20197318 | 0.81 | EIF4E (0.46) | CYP1A1CYP1B1CYP1A2KDM4ENPC1 | |
| SCHEMBL16536394 | 0.81 | KDM1A (0.41) | CYP1A1CYP1B1CYP1A2CYP19A1KDM4E | |
| SCHEMBL20197243 | 0.79 | NUDT1 (0.45) | CYP19A1 | |
| SCHEMBL20197336 | 0.79 | CYP19A1 (0.46) | CYP1A1CYP1B1CYP1A2CYP19A1KDM4E | |
| SCHEMBL20197309 | 0.78 | CYP1B1 (0.41) | CYP1A1CYP1B1CYP1A2KDM4ENPC1 | |
| SCHEMBL20197472 | 0.78 | CYP1B1 (0.36) | CYP1A1CYP1B1CYP1A2KDM4ENPC1 | |
| SCHEMBL20197320 | 0.78 | SREBF2 (0.44) | CYP19A1KDM4ENPC1RAB9ASMN1; SMN2 |
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-3038622-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | MEDIVATION TECH LLC (US) | 2018-05-30 | — | — | EP | disclosed |