Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10111189 | 0.79 | GPR3 (0.40) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL15435551 | 0.79 | KMT2A (0.33) | CYP1A2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL10111002 | 0.77 | GRM2 (0.36) | CYP1A2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL10111193 | 0.76 | KDM1A (0.34) | CYP1A2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL15435593 | 0.75 | TDP1 (0.39) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL16230462 | 0.74 | HTR7 (0.47) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL10111005 | 0.74 | ALDH1A1 (0.37) | CYP1A2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL10126527 | 0.71 | BCHE (0.36) | CYP1A2 | |
| SCHEMBL22990005 | 0.65 | CYP1A2 (0.35) | CYP1A2CYP2A6ELANEGRM2KIF11 | |
| SCHEMBL27980189 | 0.64 | ELANE (0.44) | ALDH1A1KMT2AELANE |
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 |
|---|---|---|---|---|---|---|---|
| EP-2687304-A1 | METAL COMPLEX COMPOSITIONS AND MIXTURE THEREOF | Sumitomo Chemical Company Limited (JP) | 2014-01-22 | — | — | EP | disclosed |