Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.45 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.44 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PRNP | P04156 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28631820 | 0.83 | CYP1A2 (0.51) | CYP1A2GPBAR1CYSLTR1CYSLTR2KDM4E | |
| SCHEMBL28635312 | 0.80 | CYP1A2 (0.61) | CYP1A2GPBAR1MGAMCYSLTR1CYSLTR2 | |
| SCHEMBL140815 | 0.80 | CYP1A2 (0.65) | CYP1A2GPBAR1MGAMCYSLTR1CYSLTR2 | |
| SCHEMBL14805320 | 0.78 | CYP1A2 (0.67) | CYP1A2GPBAR1MGAMCYSLTR1CYSLTR2 | |
| Acetic Acid SCHEMBL27459479 | 0.76 | CYP1A2 (0.64) | CYP1A2GPBAR1MGAMCYSLTR1CYSLTR2 | |
| SCHEMBL28197583 | 0.76 | CYP1A2 (0.59) | CYP1A2GPBAR1MGAMCYSLTR1CYSLTR2 | |
| Anthracene SCHEMBL10418177 | 0.76 | CYP1A2 (0.59) | CYP1A2GPBAR1MGAMCYSLTR1CYSLTR2 | |
| SCHEMBL5503169 | 0.75 | CYP1A2 (0.63) | CYP1A2GPBAR1MGAMCYSLTR1CYSLTR2 | |
| SCHEMBL29877127 | 0.75 | CYP1A2 (0.63) | CYP1A2GPBAR1MGAMCYSLTR1CYSLTR2 | |
| SCHEMBL7759109 | 0.75 | CYP1A2 (0.63) | CYP1A2GPBAR1MGAMCYSLTR1CYSLTR2 |
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-109761986-B | Tricyclic derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-10-08 | — | — | CN | disclosed |