Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 5/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.32 |
| ▸ | IGF1R | P08069 | 5/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27909627 | 0.92 | THRB (0.36) | ALDH1A1CMA1MEN1MAPK1KMT2A | |
| SCHEMBL27909625 | 0.89 | DRD2 (0.34) | HTR2CKDM4EEGFRERBB2IGF1R | |
| SCHEMBL27909621 | 0.87 | RORC (0.33) | CMA1KMT2A | |
| SCHEMBL27909619 | 0.82 | ACP1 (0.31) | MEN1KMT2A | |
| SCHEMBL27927316 | 0.81 | CXCR4 (0.36) | ALDH1A1KDM4ECCNE2CCNE1CDK2 | |
| SCHEMBL28806405 | 0.79 | AVPR2 (0.36) | ALDH1A1HTR2CKDM4EIGF1RMEN1 | |
| SCHEMBL27927381 | 0.78 | SLC6A4 (0.35) | TACR2TACR1TACR3ALDH1A1HTR2C | |
| SCHEMBL27909636 | 0.76 | TSHR (0.33) | ALDH1A1TSHR | |
| SCHEMBL6929253 | 0.73 | AVPR2 (0.49) | TACR2TACR1TACR3ALDH1A1KDM4E | |
| SCHEMBL27909634 | 0.73 | AVPR2 (0.44) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103189363-A | Biaryl linked aryl triazolones and uses thereof | BAYER IP GMBH | 2013-07-03 | — | — | CN | disclosed |