Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 5/20 | 0.49 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.49 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | KMO | O15229 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15683478 | 0.81 | NPC1 (0.53) | MAP4K4MINK1TNIKCYP3A4NPC1 | |
| SCHEMBL29746283 | 0.80 | AR (0.53) | MAP4K4BCHEACHECYP3A4NPC1 | |
| SCHEMBL26613375 | 0.80 | AR (0.53) | MAP4K4BCHEACHECYP3A4NPC1 | |
| SCHEMBL28156869 | 0.80 | MAOA (0.50) | MAP4K4MINK1TNIKCYP3A4NPC1 | |
| SCHEMBL12215972 | 0.80 | RAB9A (0.61) | MAP4K4MINK1TNIKCYP3A4NPC1 | |
| SCHEMBL14034221 | 0.77 | CSNK2A2 (0.46) | MAP4K4BCHEACHEKMOIDO1 | |
| SCHEMBL4247440 | 0.77 | ACHE (0.49) | MAP4K4BCHEACHEFYNKMO | |
| SCHEMBL28156873 | 0.76 | PDGFRB (0.55) | MAP4K4BCHEACHEIDO1CYP3A4 | |
| SCHEMBL15668561 | 0.76 | RAB9A (0.58) | BCHEACHEIDO1CYP3A4NPC1 | |
| SCHEMBL21415736 | 0.76 | CYP11B2 (0.53) | IDO1CYP3A4TP53CYP11B1CYP17A1 |
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-103183674-B | One class fused heterocyclic derivative and its application | 江苏先声药业有限公司 | 2017-09-12 | — | — | CN | disclosed |