Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26570742 | 0.88 | TAAR1 (0.50) | TAAR1ESR2IDO1NISCHNOTUM | |
| SCHEMBL12488051 | 0.80 | TAAR1 (0.44) | TAAR1ESR2IDO1NISCHNOTUM | |
| SCHEMBL25270075 | 0.80 | MAOA (0.50) | TAAR1KDM4EMEN1MAPTKMT2A | |
| SCHEMBL23174839 | 0.80 | TYMP (0.42) | ESR2DHODHMAPTALDH1A1 | |
| SCHEMBL29656866 | 0.79 | TAAR1 (0.47) | TAAR1ESR2IDO1NISCHDHODH | |
| SCHEMBL198702 | 0.79 | TAAR1 (0.68) | TAAR1ESR2IDO1NISCHNOTUM | |
| SCHEMBL17082215 | 0.77 | TAAR1 (0.60) | TAAR1ESR2IDO1NISCHNOTUM | |
| SCHEMBL20022105 | 0.77 | ACHE (0.48) | IDO1NISCHDHODHACHE | |
| SCHEMBL20022144 | 0.77 | ACHE (0.48) | IDO1NISCHDHODHACHE | |
| SCHEMBL28468561 | 0.77 | TAAR1 (0.38) | TAAR1ESR2IDO1NISCHDHODH |
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 |
|---|---|---|---|---|---|---|---|
| US-20130114009-A1 | OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2013-05-09 | — | — | US | disclosed |