Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 4/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16807169 | 0.91 | CNR1 (0.46) | BACE1TSHRALDH1A1MAPTKDM4E | |
| SCHEMBL16807168 | 0.90 | CYP4A11 (0.46) | BACE1ALOX5CYP4F2CYP4A11CA2 | |
| SCHEMBL16807160 | 0.90 | CYP4F2 (0.42) | BACE1TSHRALDH1A1MAPTKDM4E | |
| SCHEMBL16807163 | 0.89 | BACE1 (0.42) | BACE1ALDH1A1MAPTGPR84TAAR1 | |
| SCHEMBL16807170 | 0.88 | ALDH1A1 (0.45) | ALDH1A1KDM4ECA2GPR84CA1 | |
| SCHEMBL16807167 | 0.88 | CYP4A11 (0.47) | BACE1ALDH1A1CYP4F2CYP4A11CA2 | |
| SCHEMBL16807084 | 0.88 | BACE1 (0.41) | BACE1TSHRALDH1A1MAPTKDM4E | |
| SCHEMBL16807166 | 0.87 | BCHE (0.47) | BACE1ALDH1A1KDM4ECYP4F2CYP4A11 | |
| SCHEMBL16774551 | 0.87 | RARB (0.47) | ALDH1A1KDM4ELMNAPPARA | |
| SCHEMBL16807111 | 0.86 | ALOX5 (0.43) | BACE1TSHRALDH1A1MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-20150166890-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-06-18 | — | — | US | disclosed |
| US-20150166890-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-06-18 | — | — | US | disclosed |