Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28959943 | 0.88 | CYP2C9 (0.32) | PKMSMN1; SMN2NPC1NFKB1RAB9A | |
| SCHEMBL21428137 | 0.78 | PKM (0.39) | CYP1A2CYP2C19PKMSMN1; SMN2MAPT | |
| SCHEMBL28487056 | 0.78 | PKM (0.39) | CYP1A2CYP2C19PKMSMN1; SMN2MAPT | |
| SCHEMBL21428139 | 0.78 | PKM (0.39) | CYP1A2CYP2C19PKMSMN1; SMN2MAPT | |
| SCHEMBL28898141 | 0.73 | GRM4 (0.40) | SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL23010409 | 0.72 | CYP1A2 (0.46) | CYP1A2CYP2C19PKMSMN1; SMN2MAPT | |
| SCHEMBL21408377 | 0.72 | CYP1A2 (0.46) | CYP1A2CYP2C19PKMSMN1; SMN2MAPT | |
| SCHEMBL21408358 | 0.72 | CYP1A2 (0.41) | CYP1A2CYP2C19PKMSMN1; SMN2MAPT | |
| SCHEMBL9713997 | 0.72 | CYP1A2 (0.57) | CYP1A2CYP2C19PKMNFKB1NFKB2 | |
| SCHEMBL28898140 | 0.71 | — | — |
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-111868026-B | Capsid protein assembly inhibitor containing N-heterocyclic five-membered ring, pharmaceutical composition and application thereof | 正大天晴药业集团股份有限公司 | 2022-11-25 | — | — | CN | disclosed |