Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 6/20 | 0.41 |
| ▸ | HTR3A | P46098 | 6/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23010843 | 0.84 | HRH4 (0.56) | NPC1RAB9AHRH4LOXL2PIN1 | |
| SCHEMBL92726 | 0.78 | HRH3 (0.53) | ADRB1HRH4HTR1AHTR3AHTR2C | |
| SCHEMBL38661680 | 0.78 | HRH3 (0.53) | ADRB1HRH4HTR1AHTR3AHTR2C | |
| SCHEMBL23010600 | 0.72 | HTR3A (0.63) | ADRB1NPC1RAB9AHTR3AADRB2 | |
| SCHEMBL17938665 | 0.72 | NPC1 (0.78) | NPC1RAB9AHRH4PIN1AKR1C3 | |
| SCHEMBL15534306 | 0.71 | HTR3A (0.69) | ADRB1HTR1AHTR3AHTR2CHTR2B | |
| SCHEMBL4178268 | 0.71 | ADRB1 (0.56) | ADRB1HTR1AHTR3AHTR2CAXL | |
| Hydrochloric Acid SCHEMBL15534114 | 0.70 | HTR3A (0.67) | ADRB1HTR1AHTR3A | |
| SCHEMBL13398441 | 0.68 | HTR3A (0.55) | ADRB1HTR1AHTR3AADRB2HTR2C | |
| SCHEMBL23010839 | 0.68 | TLR9 (0.47) | RAB9AHRH4LOXL2PIN1DAO |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021003314-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | NUVATION BIO INC. (US) | 2021-01-07 | — | — | WO | disclosed |