Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLCN2 | P51788 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | F2R | P25116 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 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 | |
|---|---|---|---|---|
| SCHEMBL6257156 | 0.92 | CLCN2 (0.41) | CLCN2GABRA1GABRB2TSHRNLRP3 | |
| SCHEMBL28680548 | 0.84 | ALDH1A1 (0.53) | CLCN2GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL4780573 | 0.82 | GABRA1 (0.45) | CLCN2GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL31530859 | 0.82 | GABRA1 (0.45) | CLCN2GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL29027389 | 0.80 | LMNA (0.45) | CLCN2TSHRALDH1A1HTTLMNA | |
| SCHEMBL14958374 | 0.79 | TSHR (0.66) | TSHRALDH1A1LMNATDP1L3MBTL1 | |
| SCHEMBL10563836 | 0.79 | GABRA1 (0.42) | CLCN2GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL20972350 | 0.77 | PLK1 (0.50) | CLCN2GABRA1GABRB2ALDH1A1HTT | |
| SCHEMBL27770565 | 0.77 | TSHR (0.47) | CLCN2GABRA1GABRB2TSHRALDH1A1 | |
| SCHEMBL4422837 | 0.76 | ALDH1A1 (0.41) | CLCN2GABRA1GABRB2ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005061462-A2 | DIARYL PYRAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ-3 RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2005-07-07 | — | — | WO | disclosed |