Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.31 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.31 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20197243 | 0.86 | NUDT1 (0.45) | NUDT1RPS6KA3 | |
| SCHEMBL16535520 | 0.84 | PTGS1 (0.35) | CYP1A2CYP1B1CYP1A1TGFBR1KDM4E | |
| SCHEMBL20197271 | 0.81 | MEN1 (0.39) | CYP1A2CYP1B1CYP1A1KDM4ENPC1 | |
| SCHEMBL20197228 | 0.76 | CYP1A1 (0.42) | CYP1A2CYP1B1CYP1A1AMY1AKDM4E | |
| SCHEMBL20197355 | 0.75 | MEN1 (0.53) | KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20197302 | 0.74 | SMN1; SMN2 (0.46) | CYP1A2CYP1B1CYP1A1KDM4ENPC1 | |
| SCHEMBL20197318 | 0.74 | EIF4E (0.46) | CYP1A2CYP1B1CYP1A1AMY1AKDM4E | |
| SCHEMBL20197342 | 0.73 | LMNA (0.37) | CYP1A2CYP1B1CYP1A1AMY1AKDM4E | |
| SCHEMBL20197336 | 0.72 | CYP19A1 (0.46) | CYP1A2CYP1B1CYP1A1AMY1AKDM4E | |
| SCHEMBL20197220 | 0.72 | SREBF2 (0.35) | AMY1AKDM4E |
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 |