Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | HTR2C | P28335 | 3/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18388092 | 0.81 | HTR2A (0.32) | HTR2AHTR2CHTR2BROCK1 | |
| SCHEMBL14924812 | 0.80 | CYP1A2 (0.46) | LMNAKDM4EALDH1A1GAAHPGD | |
| SCHEMBL25958561 | 0.79 | KDM4E (0.34) | LMNAKDM4EALDH1A1GAAHPGD | |
| SCHEMBL20821896 | 0.73 | CYP1A2 (0.39) | LMNAKDM4EALDH1A1GAAHPGD | |
| SCHEMBL607927 | 0.73 | CYP1A2 (0.71) | LMNAKDM4EALDH1A1GAAHPGD | |
| SCHEMBL597341 | 0.71 | CYP1A2 (0.67) | LMNAKDM4EALDH1A1GAAHPGD | |
| SCHEMBL6566399 | 0.71 | CYP2A6 (0.54) | CYP1A2CYP2A6TDP1HTR2AHTR2C | |
| SCHEMBL18308707 | 0.70 | CYP1A2 (0.59) | LMNAKDM4EALDH1A1GAAHPGD | |
| SCHEMBL15131790 | 0.68 | HTR2A (0.70) | CYP1A2CYP2A6HTR2AHTR2CHTR2B | |
| SCHEMBL12769510 | 0.67 | ROCK1 (0.35) | ALDH1A1HSD17B10CYP1A2CYP2A6ROCK1 |
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-3322769-B1 | METHOD OF REDUCING ODF MURA IN POLYMER STABILISED LIQUID CRYSTAL DISPLAYS | MERCK PATENT GMBH (DE) | 2019-03-20 | — | — | EP | disclosed |