Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.58 |
| ▸ | ERN1 | O75460 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | DHPS | P49366 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2083165 | 1.00 | CYP2A6 (0.58) | CYP2A6ERN1NPC1RAB9AALDH1A1 | |
| SCHEMBL2019385 | 0.85 | CYP2A6 (0.62) | CYP2A6ERN1RAB9AALDH1A1DYRK1A | |
| SCHEMBL23775695 | 0.78 | CYP2A6 (0.60) | CYP2A6RAB9AALDH1A1 | |
| SCHEMBL4385517 | 0.77 | CYP2A6 (0.58) | CYP2A6ERN1NPC1RAB9AALDH1A1 | |
| SCHEMBL21234909 | 0.77 | CYP2A6 (0.58) | CYP2A6MAPTHTT | |
| SCHEMBL6963606 | 0.77 | CYP2A6 (0.58) | CYP2A6NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL20391352 | 0.77 | CYP2A6 (0.58) | CYP2A6ALDH1A1 | |
| SCHEMBL28086785 | 0.77 | CYP2A6 (0.73) | CYP2A6NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL12683402 | 0.77 | CYP2A6 (0.61) | CYP2A6 | |
| SCHEMBL7972992 | 0.77 | RAB9A (0.38) | CYP2A6ERN1NPC1RAB9AALDH1A1 |
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-115626890-A | Diamine monomer with bulky alkynyl side group and preparation method and application thereof | 波米科技有限公司 | 2023-01-20 | — | — | CN | disclosed |