Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 10/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 9/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.45 |
| ▸ | PLK4 | O00444 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3439414 | 0.82 | RAB9A (0.56) | SMN1; SMN2RAB9AALDH1A1CYP1A2NPC1 | |
| SCHEMBL15223500 | 0.82 | RAB9A (0.56) | SMN1; SMN2RAB9AALDH1A1CYP1A2NPC1 | |
| SCHEMBL3401608 | 0.82 | HRH4 (0.50) | SMN1; SMN2RAB9AALDH1A1PIK3C3NPC1 | |
| SCHEMBL3396331 | 0.81 | EPHX2 (0.41) | SMN1; SMN2PIK3C3 | |
| SCHEMBL28296111 | 0.79 | ALDH1A1 (0.52) | SMN1; SMN2RAB9AALDH1A1CYP1A2NPC1 | |
| SCHEMBL3875051 | 0.79 | SMN1; SMN2 (0.56) | SMN1; SMN2RAB9AALDH1A1CYP1A2HPGD | |
| SCHEMBL3186273 | 0.78 | SMN1; SMN2 (0.49) | SMN1; SMN2RAB9AALDH1A1CYP1A2PIK3C3 | |
| SCHEMBL11918962 | 0.78 | SMN1; SMN2 (0.49) | SMN1; SMN2RAB9AALDH1A1CYP1A2NPC1 | |
| SCHEMBL28045432 | 0.77 | SMN1; SMN2 (0.48) | SMN1; SMN2RAB9AALDH1A1CYP1A2PIK3C3 | |
| SCHEMBL3227298 | 0.77 | SMN1; SMN2 (0.70) | SMN1; SMN2RAB9AALDH1A1CYP1A2NPC1 |
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-2022053022-A1 | METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 赛诺哈勃药业（成都）有限公司 | 2022-03-17 | — | — | WO | disclosed |