Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.56 |
| ▸ | NPC1 | O15118 | 7/20 | 0.56 |
| ▸ | RAB9A | P51151 | 7/20 | 0.56 |
| ▸ | HPGD | P15428 | 6/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29220714 | 0.88 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL21268524 | 0.81 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL17781294 | 0.81 | KDM4E (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL30184311 | 0.81 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL17781177 | 0.79 | KDM4E (0.47) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL14033191 | 0.77 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL20199337 | 0.76 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL30040702 | 0.75 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL21268538 | 0.73 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL13522591 | 0.73 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD |
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-117777142-A | Preparation method of 7-hydrogen substituted pyrazolo [1,5-a ] pyrimidine compound | 安徽中医药大学 | 2024-03-29 | — | — | CN | disclosed |