Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIG1 | P18858 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | RAD52 | P43351 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31507286 | 0.80 | CHRNA1 (0.40) | ALDH1A1KDM1ARCOR1 | |
| SCHEMBL25346330 | 0.80 | CHRNA1 (0.40) | ALDH1A1KDM1ARCOR1 | |
| SCHEMBL4046273 | 0.78 | CYP2A6 (0.36) | LIG1TAAR1KMT2AMEN1NPC1 | |
| SCHEMBL31649740 | 0.76 | KDM1A (0.32) | LIG1TAAR1ALDH1A1HTTKDM1A | |
| SCHEMBL4770412 | 0.75 | LIG1 (0.37) | LIG1ALDH1A1KDM4EKMT2ANPC1 | |
| SCHEMBL20582009 | 0.75 | LIG1 (0.41) | LIG1ALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL14710732 | 0.73 | TAAR1 (0.35) | TAAR1 | |
| SCHEMBL24775286 | 0.72 | CNR1 (0.32) | — | |
| SCHEMBL15200653 | 0.71 | OPRM1 (0.39) | ALDH1A1HTTKDM4EKDM1ARCOR1 | |
| SCHEMBL28173283 | 0.70 | MMP2 (0.35) | LIG1 |
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-115448882-A | Benzoheterocyclic compounds useful for the treatment of EP2, EP4 receptor mediated diseases | 武汉人福创新药物研发中心有限公司 | 2022-12-09 | — | — | CN | disclosed |