Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.47 |
| ▸ | LPAR5 | Q9H1C0 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LPAR1 | Q92633 | 7/20 | 0.41 |
| ▸ | LPAR3 | Q9UBY5 | 7/20 | 0.41 |
| ▸ | LPAR2 | Q9HBW0 | 4/20 | 0.41 |
| ▸ | LPAR6 | P43657 | 3/20 | 0.41 |
| ▸ | LPAR4 | Q99677 | 3/20 | 0.41 |
| ▸ | PLA2G2C | Q5R387 | 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 | |
|---|---|---|---|---|
| 2-Pentanol SCHEMBL143322 | 0.93 | TSHR (0.52) | HTTMEN1THRBKMT2AMAPT | |
| SCHEMBL6240007 | 0.91 | HTT (0.50) | HTTMEN1THRBKMT2AMAPT | |
| SCHEMBL10514188 | 0.89 | HTT (0.54) | HTTMEN1THRBKMT2AMAPT | |
| SCHEMBL11302347 | 0.89 | HTT (0.54) | HTTMEN1THRBKMT2AMAPT | |
| SCHEMBL4669394 | 0.89 | HTT (0.54) | HTTMEN1THRBKMT2AMAPT | |
| SCHEMBL23064082 | 0.89 | HTT (0.54) | HTTMEN1THRBKMT2AMAPT | |
| SCHEMBL8433899 | 0.89 | HTT (0.54) | HTTMEN1THRBKMT2AMAPT | |
| SCHEMBL8373515 | 0.89 | HTT (0.54) | HTTMEN1THRBKMT2AMAPT | |
| SCHEMBL10511997 | 0.89 | HTT (0.54) | HTTMEN1THRBKMT2AMAPT | |
| SCHEMBL23064091 | 0.89 | HTT (0.54) | HTTMEN1THRBKMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-101189013-A | Crystalline (2E,4S)-4-[(N-{[(2R)-1-isopropylpiperidin-2-yl]-carbonyl}-3-methyl-L-valyl)(methyl)amino]-2,5-dimethylhex-2-enoic acid and its pharmaceutical uses | EISAI CO LTD (JP) | 2008-05-28 | — | — | CN | disclosed |
| US-20070122741-A1 | Resist protective coating material and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2007-05-31 | — | — | US | disclosed |