Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.68 |
| ▸ | NPC1 | O15118 | 4/20 | 0.68 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.68 |
| ▸ | KCNK9 | Q9NPC2 | 4/20 | 0.65 |
| ▸ | KCNK3 | O14649 | 3/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.59 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.58 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL14572770 | 0.86 | MAPT (0.76) | RAB9ANPC1NLRP3KCNK9KCNK3 | |
| SCHEMBL28632343 | 0.85 | KMT2A (0.53) | RAB9ANPC1NLRP3MAPK1KMT2A | |
| SCHEMBL9576738 | 0.84 | KMT2A (0.63) | RAB9ANPC1NLRP3MAPK1KMT2A | |
| SCHEMBL23367928 | 0.83 | RAB9A (0.75) | RAB9ANPC1NLRP3KCNK9KCNK3 | |
| SCHEMBL22543145 | 0.83 | NR1H4 (0.78) | RAB9ANPC1NLRP3KCNK9KCNK3 | |
| SCHEMBL11191731 | 0.82 | KMT2A (0.66) | RAB9ANPC1MAPK1KMT2AMEN1 | |
| SCHEMBL2176828 | 0.81 | NPC1 (1.00) | RAB9ANPC1NLRP3KCNK9KCNK3 | |
| SCHEMBL29800540 | 0.81 | NPC1 (1.00) | RAB9ANPC1NLRP3KCNK9KCNK3 | |
| SCHEMBL11872755 | 0.81 | RAB9A (0.68) | RAB9ANPC1NLRP3KCNK9KCNK3 | |
| SCHEMBL2298254 | 0.80 | KCNK3 (1.00) | RAB9ANPC1KCNK9KCNK3KMT2A |
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-114920726-B | Triazole-isonicotinic acid compound as well as preparation method and application thereof | 郑州大学 | 2023-06-13 | — | — | CN | disclosed |
| CN-114920726-A | Triazole-isonicotinic acid compound and preparation method and application thereof | 郑州大学 | 2022-08-19 | — | — | CN | disclosed |