Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 1/20 | 0.41 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | KLRK1 | P26718 | 1/20 | 0.35 |
| ▸ | MICA | Q29983 | 1/20 | 0.35 |
| ▸ | RAET1L | Q5VY80 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | LDHB | P07195 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | SMO | Q99835 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29006282 | 0.89 | HDAC3 (0.41) | — | |
| SCHEMBL29006269 | 0.86 | OXTR (0.41) | OXTRAVPR1ATACR1PDE2ACYP3A4 | |
| SCHEMBL29006259 | 0.86 | NPSR1 (0.44) | TACR1CYP3A4NPSR1KLRK1MICA | |
| SCHEMBL29006260 | 0.85 | CNR1 (0.39) | NPSR1CNR2 | |
| SCHEMBL29006257 | 0.80 | HDAC4 (0.46) | NPSR1CES2CES1CNR2CYP26A1 | |
| SCHEMBL29006270 | 0.79 | CNR2 (0.39) | NPSR1CNR2SMO | |
| SCHEMBL29006264 | 0.77 | TDP1 (0.40) | CYP3A4NPSR1MEN1KMT2A | |
| SCHEMBL29006280 | 0.77 | HDAC4 (0.41) | MEN1KMT2A | |
| SCHEMBL29006265 | 0.75 | HTT (0.38) | NPSR1MEN1KMT2A | |
| SCHEMBL29006258 | 0.71 | HDAC3 (0.42) | NPSR1KMT2A |
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-116003323-B | Fluorine-containing pyrazole phenylacetamide derivative and application thereof | 西北农林科技大学 | 2023-12-08 | — | — | CN | disclosed |
| CN-116003323-A | Fluorine-containing pyrazole phenylacetamide derivative and application thereof | 西北农林科技大学 | 2023-04-25 | — | — | CN | disclosed |