Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.58 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.58 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | TACR1 | P25103 | 2/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CCR3 | P51677 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28737516 | 0.83 | TSHR (0.54) | OPRL1POLBTSHRCHRM2CHRM3 | |
| SCHEMBL3934544 | 0.83 | NPFFR1 (0.60) | NPFFR1NPFFR2OPRL1POLBTSHR | |
| SCHEMBL14734958 | 0.82 | CYP2D6 (0.54) | OPRL1POLBTSHRCHRM2CHRM3 | |
| SCHEMBL28448331 | 0.80 | CYP2D6 (0.53) | NPFFR1NPFFR2TSHRCHRM2CHRM3 | |
| SCHEMBL5571569 | 0.80 | TACR1 (0.57) | CHRM3CYP2D6CYP3A4ALDH1A1USP2 | |
| SCHEMBL5698830 | 0.80 | OPRL1 (0.56) | NPFFR1NPFFR2OPRL1POLBTSHR | |
| SCHEMBL28690017 | 0.79 | TSHR (0.50) | TSHRCHRM2CHRM3CYP2D6CYP3A4 | |
| SCHEMBL2470240 | 0.78 | MAOA (0.61) | NPFFR1NPFFR2OPRL1POLBTSHR | |
| SCHEMBL2789160 | 0.78 | OPRL1 (0.66) | NPFFR1NPFFR2OPRL1POLBTSHR | |
| SCHEMBL20571017 | 0.78 | TSHR (0.52) | NPFFR1NPFFR2POLBTSHRCHRM2 |
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-113248449-B | Aryl spiro-compound containing formamidine and preparation method and application thereof | 中国药科大学 | 2022-09-23 | — | — | CN | disclosed |
| CN-113248449-A | Aryl spiro-compound containing formamidine and preparation method and application thereof | 中国药科大学 | 2021-08-13 | — | — | CN | disclosed |