Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | KDM4A | O75164 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17459925 | 0.96 | CYP19A1 (0.46) | CYP19A1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL6283212 | 0.94 | KCNH2 (0.48) | CYP19A1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL6062885 | 0.86 | CYP19A1 (0.49) | CYP19A1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL27464581 | 0.86 | HTR2A (0.59) | CYP19A1KCNH2CHRM2ADRA2ACHRM1 | |
| SCHEMBL27464580 | 0.86 | HTR2A (0.55) | CYP19A1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL6685367 | 0.82 | NR1I2 (0.56) | OPRM1SIGMAR1HTR2A | |
| SCHEMBL9128295 | 0.82 | SIGMAR1 (0.38) | CYP19A1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL8197544 | 0.81 | CYP19A1 (0.48) | CYP19A1KCNH2SIGMAR1L3MBTL1MAOA | |
| SCHEMBL28775673 | 0.81 | SIGMAR1 (0.47) | CYP19A1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL6682169 | 0.81 | NR1I2 (0.58) | KCNH2OPRM1SIGMAR1HTR2A |
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-117015535-A | (4S)-2 4 -chloro-4-ethyl-7 3 -fluoro-3 5 -methoxy-3 2 5-dioxo-1 4 - (trifluoromethyl) -3 2 H-6-aza-3 (4, 1) -pyridine-1 (1) - [1,2,3]Triazole-2 (1, 2), 7 (1) -5-diphenylheptane-7 4 Crystalline forms of formamide | 拜耳公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-117015535-A | (4S)-2 4 -chloro-4-ethyl-7 3 -fluoro-3 5 -methoxy-3 2 5-dioxo-1 4 - (trifluoromethyl) -3 2 H-6-aza-3 (4, 1) -pyridine-1 (1) - [1,2,3]Triazole-2 (1, 2), 7 (1) -5-diphenylheptane-7 4 Crystalline forms of formamide | 拜耳公司 | 2023-11-07 | — | — | CN | disclosed |