Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | AR | P10275 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28722905 | 1.00 | RAB9A (0.53) | RAB9AARNPC1CYP1A2CYP3A4 | |
| SCHEMBL15229057 | 0.85 | PARP1 (0.54) | RAB9AARNPC1CYP1A2CYP3A4 | |
| SCHEMBL29496195 | 0.83 | CYP2A6 (0.51) | RAB9AARNPC1CYP1A2CYP3A4 | |
| SCHEMBL28721995 | 0.83 | CYP2A6 (0.51) | RAB9AARNPC1CYP1A2CYP3A4 | |
| SCHEMBL29496146 | 0.82 | BACE1 (0.50) | RAB9AARNPC1CYP1A2CYP3A4 | |
| SCHEMBL28722848 | 0.82 | BACE1 (0.50) | RAB9AARNPC1CYP1A2CYP3A4 | |
| SCHEMBL14759591 | 0.81 | AR (0.50) | RAB9AARNPC1BACE1PARP1 | |
| SCHEMBL1034290 | 0.79 | CYP3A4 (0.53) | RAB9AARNPC1CYP1A2CYP3A4 | |
| SCHEMBL30590014 | 0.79 | NPC1 (0.53) | RAB9AARNPC1CYP1A2CYP3A4 | |
| SCHEMBL14428352 | 0.79 | AR (0.53) | RAB9AARNPC1CYP1A2CYP3A4 |
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-114269730-A | 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists | 多曼治疗学公司 | 2022-04-01 | — | — | CN | disclosed |