Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.43 |
| ▸ | RAB9A | P51151 | 9/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29413795 | 0.86 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL29413805 | 0.84 | KDR (0.40) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL29413846 | 0.82 | HSP90AA1 (0.42) | NPC1RAB9ASMN1; SMN2MAPTMEN1 | |
| SCHEMBL29413821 | 0.81 | CA1 (0.40) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL29413798 | 0.80 | RAD51 (0.44) | NPC1RAB9ASMN1; SMN2MAPTMEN1 | |
| SCHEMBL29413812 | 0.79 | MAPT (0.52) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL29413855 | 0.79 | FAAH (0.34) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL29413782 | 0.77 | — | — | |
| SCHEMBL29413806 | 0.73 | CYP19A1 (0.38) | MAPTMEN1KMT2AALDH1A1TSHR | |
| SCHEMBL31681893 | 0.73 | KDM4E (0.40) | RAB9ASMN1; SMN2MAPTKDM4EMEN1 |
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-108558833-B | Pyrazole alcohol compound, pharmaceutical composition thereof and application thereof in medicines | 贵州医科大学 | 2022-03-04 | — | — | CN | disclosed |