Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29686646 | 0.95 | CHRNB2 (0.49) | CHRNB2CHRNA7CHRNA4EPHX1ALDH1A1 | |
| SCHEMBL9232926 | 0.93 | CHRNB2 (0.46) | CHRNB2CHRNA7CHRNA4EPHX1ALDH1A1 | |
| SCHEMBL29385123 | 0.93 | EPHX1 (0.48) | CHRNB2CHRNA7CHRNA4EPHX1ALDH1A1 | |
| SCHEMBL28249807 | 0.93 | EPHX1 (0.48) | CHRNB2CHRNA7CHRNA4EPHX1ALDH1A1 | |
| SCHEMBL28380195 | 0.93 | EPHX1 (0.48) | CHRNB2CHRNA7CHRNA4EPHX1ALDH1A1 | |
| SCHEMBL29559353 | 0.93 | EPHX1 (0.48) | CHRNB2CHRNA7CHRNA4EPHX1ALDH1A1 | |
| SCHEMBL8791144 | 0.91 | EPHX1 (0.44) | CHRNB2CHRNA7CHRNA4EPHX1ALDH1A1 | |
| SCHEMBL29455101 | 0.88 | EPHX1 (0.48) | CHRNB2CHRNA7CHRNA4EPHX1ALDH1A1 | |
| SCHEMBL28358906 | 0.88 | EPHX1 (0.48) | CHRNB2CHRNA7CHRNA4EPHX1ALDH1A1 | |
| SCHEMBL4004983 | 0.88 | EPHX1 (0.48) | CHRNB2CHRNA7CHRNA4EPHX1ALDH1A1 |
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-113767092-A | Bis-heterocyclic carbonyl substituted dihydropyrazole compound, preparation method and medical application thereof | 劲方医药科技(上海)有限公司 | 2021-12-07 | — | — | CN | disclosed |