Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | PRF1 | P14222 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.30 |
| ▸ | TUBB | P07437 | 1/20 | 0.30 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.30 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.30 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.30 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.30 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.30 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21177013 | 0.81 | CYP2A6 (0.47) | CYP2A6PRF1PTGS1PTGS2MAPT | |
| SCHEMBL29452875 | 0.81 | CYP2A6 (0.47) | CYP2A6PRF1PTGS1PTGS2MAPT | |
| SCHEMBL30197394 | 0.80 | CYP2A6 (0.74) | CYP2A6CA2PRF1ERN1ALDH1A1 | |
| SCHEMBL6811552 | 0.80 | CYP2A6 (0.74) | CYP2A6CA2PRF1ERN1ALDH1A1 | |
| SCHEMBL5539045 | 0.72 | ERN1 (0.41) | CYP2A6ERN1ALDH1A1 | |
| SCHEMBL5544825 | 0.72 | HSP90AA1 (0.38) | CYP2A6ERN1ALDH1A1MAPK1 | |
| SCHEMBL2022637 | 0.70 | CYP2A6 (1.00) | CYP2A6CA2PRF1ERN1MAPT | |
| SCHEMBL6811378 | 0.70 | CYP2A6 (0.50) | CYP2A6CA2PTGS1PTGS2MAPT | |
| SCHEMBL6811377 | 0.70 | CYP2A6 (0.50) | CYP2A6CA2PTGS1PTGS2MAPT | |
| SCHEMBL2091129 | 0.69 | GPR183 (0.39) | CYP2A6ERN1 |
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-2019141229-A1 | COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF | 上海怡立舍生物技术有限公司 | 2019-07-25 | — | — | WO | disclosed |