Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.66 |
| ▸ | RAB9A | P51151 | 1/20 | 0.66 |
| ▸ | CASP6 | P55212 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL480278 | 0.78 | ALDH1A1 (0.73) | KMT2ANPC1RAB9AALDH1A1HPGD | |
| SCHEMBL28960465 | 0.78 | ALDH1A1 (0.60) | KMT2AALDH1A1HPGDSMN1; SMN2TDP1 | |
| SCHEMBL21176664 | 0.78 | CA12 (0.70) | KMT2ARAB9ACASP6HPGDCA12 | |
| SCHEMBL6956819 | 0.77 | ALOX5 (0.62) | KMT2AALDH1A1TDP1CA12CA1 | |
| SCHEMBL13401392 | 0.75 | ALDH1A1 (0.86) | KMT2AALDH1A1HPGDSMN1; SMN2TDP1 | |
| SCHEMBL2210510 | 0.74 | ALOX5 (0.62) | KMT2AALDH1A1CA12CA1CA2 | |
| SCHEMBL30070354 | 0.74 | ALOX5 (0.62) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL6207633 | 0.74 | ALOX5 (0.62) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL28639253 | 0.74 | ALOX5 (0.62) | KMT2AALDH1A1CA12CA1CA2 | |
| SCHEMBL13486977 | 0.74 | ALOX5 (0.62) | ALDH1A1TDP1CA12CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115572282-B | Pyrazole amide compound containing aromatic heterocyclic structure, and preparation method and application thereof | 华东理工大学 | 2024-07-09 | — | — | CN | disclosed |
| CN-115572282-A | Pyrazole amide compound containing aromatic heterocyclic structure, and preparation method and application thereof | 华东理工大学 | 2023-01-06 | — | — | CN | disclosed |