Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 1/20 | 0.44 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.44 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 8/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 6/20 | 0.38 |
| ▸ | PGR | P06401 | 3/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.36 |
| ▸ | MTOR | P42345 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL21525059 | 0.83 | AVPR2 (0.44) | AVPR2AVPR1AAVPR1BCHRM5CHRM1 | |
| SCHEMBL21525063 | 0.79 | AVPR2 (0.42) | AVPR2AVPR1AAVPR1BCHRM5CHRM1 | |
| Trifluoroacetic Acid SCHEMBL21518460 | 0.79 | CHRM5 (0.38) | AVPR2AVPR1AAVPR1BCHRM5CHRM1 | |
| SCHEMBL17363932 | 0.77 | CHRM5 (0.41) | CHRM5CHRM1CHRM3NR3C2NR3C1 | |
| SCHEMBL28261074 | 0.76 | AGTR2 (0.46) | AVPR2AVPR1AAVPR1BPIK3CDALDH1A1 | |
| SCHEMBL21525060 | 0.73 | AVPR1A (0.56) | AVPR2AVPR1AAVPR1BPIK3CDPIK3R1 | |
| 7-F-D-Diboa SCHEMBL4264755 | 0.72 | CHRM5 (0.43) | CHRM5CHRM1CHRM3NR3C2NR3C1 | |
| SCHEMBL21518461 | 0.72 | AVPR1A (0.57) | AVPR2AVPR1AAVPR1BPIK3CDPIK3R1 | |
| SCHEMBL10533924 | 0.71 | TSHR (0.60) | CHRM5CHRM1CHRM3NPY5RKDM4E | |
| SCHEMBL21525064 | 0.71 | AVPR1A (0.47) | AVPR2AVPR1AAVPR1BCHRM5CHRM1 |
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 |