Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.53 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.47 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL883905 | 0.98 | KMT2A (0.58) | KMT2ACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL31057148 | 0.85 | KMT2A (0.68) | KMT2ACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL11399275 | 0.85 | KMT2A (0.68) | KMT2ACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL3137773 | 0.84 | KMT2A (0.46) | KMT2ACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL353774 | 0.84 | AURKA (0.60) | KMT2ACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL28275410 | 0.84 | CHIA (0.65) | KMT2ACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL4538970 | 0.84 | EPHX2 (0.52) | KMT2ACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL30945091 | 0.84 | EPHX2 (0.52) | KMT2ACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL14758381 | 0.84 | ALDH1A1 (0.62) | KMT2ACYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL28059131 | 0.84 | ALDH1A1 (0.61) | KMT2ACYP1A2CYP2C9CYP2C19MEN1 |
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-107344936-A | Triazole pyridazine analog derivative, its preparation method, pharmaceutical composition and purposes | 如东赛默罗生物科技有限公司 | 2017-11-14 | — | — | CN | disclosed |