Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | LOX | P28300 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10721062 | 0.88 | KMT2A (0.60) | ALDH1A1PDK2NPC1KMT2AL3MBTL1 | |
| SCHEMBL18767537 | 0.86 | ALDH1A1 (0.57) | ALDH1A1PDK2NPC1KMT2AL3MBTL1 | |
| SCHEMBL6172949 | 0.86 | NPC1 (0.53) | ALDH1A1PDK2NPC1KMT2AL3MBTL1 | |
| SCHEMBL1762519 | 0.86 | KMT2A (0.59) | ALDH1A1PDK2NPC1KMT2ALOX | |
| SCHEMBL9871506 | 0.86 | KMT2A (0.59) | ALDH1A1PDK2NPC1KMT2ALOX | |
| SCHEMBL24435015 | 0.86 | KMT2A (0.59) | ALDH1A1PDK2NPC1KMT2ALOX | |
| SCHEMBL13709423 | 0.84 | PDK2 (0.56) | ALDH1A1PDK2NPC1KMT2AL3MBTL1 | |
| SCHEMBL26814847 | 0.84 | KMT2A (0.56) | ALDH1A1PDK2NPC1KMT2AL3MBTL1 | |
| SCHEMBL28426712 | 0.83 | ALDH1A1 (0.51) | ALDH1A1PDK2NPC1KMT2AL3MBTL1 | |
| SCHEMBL11162409 | 0.82 | ALDH1A1 (0.56) | ALDH1A1KMT2AL3MBTL1MMP2RAB9A |
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-112174939-B | Method for synthesizing 5-amino substituted 1H-1,2, 3-triazole from 2,2, 2-trifluoroethyl ketone | 中国人民大学 | 2021-09-07 | — | — | CN | disclosed |
| CN-112174939-A | Method for synthesizing 5-amino substituted 1H-1,2, 3-triazole from 2,2, 2-trifluoroethyl ketone | 中国人民大学 | 2021-01-05 | — | — | CN | disclosed |