Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28261103 | 0.78 | NOTUM (0.45) | AVPR1ANOTUMSCN9AKDM4EALOX15 | |
| SCHEMBL20328102 | 0.77 | AVPR1A (0.41) | AVPR1AHTR6PIK3CBPIK3CDPIK3CG | |
| SCHEMBL30962043 | 0.76 | SCN9A (0.44) | AVPR1ANOTUMHTR6PIK3CBPIK3CD | |
| SCHEMBL28261074 | 0.74 | AGTR2 (0.46) | AVPR1APIK3CBPIK3CDPIK3CGALDH1A1 | |
| SCHEMBL18222113 | 0.74 | NOTUM (0.47) | NOTUMMEN1KMT2ALMNAUSP30 | |
| SCHEMBL1449558 | 0.73 | L3MBTL3 (0.37) | NOTUMKDM4EALDH1A1UCHL1USP30 | |
| SCHEMBL30962073 | 0.72 | PIK3CD (0.38) | AVPR1ANOTUMHTR6PIK3CBPIK3CD | |
| SCHEMBL2015384 | 0.71 | SOS1 (0.42) | AVPR1AHTR6PIK3CBPIK3CDPIK3CG | |
| SCHEMBL20328103 | 0.70 | AVPR1A (0.54) | AVPR1AKDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL1802527 | 0.68 | ADRA2A (0.39) | NOTUMKMT2A |
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-108884071-B | Condensed ring based azetidinyl triazole derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2021-05-14 | — | — | CN | disclosed |
| CN-108884071-A | Condensed ring based azetidinyl triazole derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2018-11-23 | — | — | CN | disclosed |