Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | ADH4 | P08319 | 1/20 | 0.32 |
| ▸ | ADH7 | P40394 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.32 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL11782650 | 0.93 | OPRM1 (0.50) | TSHRLMNAOPRM1DNM1THRB | |
| Hexane SCHEMBL1779631 | 0.93 | OPRM1 (0.50) | TSHRLMNAOPRM1DNM1THRB | |
| Decane SCHEMBL27740172 | 0.90 | TSHR (0.53) | TSHRLMNAOPRM1DNM1THRB | |
| Heptane SCHEMBL6448789 | 0.90 | TSHR (0.53) | TSHRLMNAOPRM1DNM1THRB | |
| Octane SCHEMBL3817777 | 0.90 | TSHR (0.53) | TSHRLMNAOPRM1DNM1THRB | |
| SCHEMBL2487739 | 0.89 | — | — | |
| SCHEMBL907968 | 0.89 | TSHR (0.44) | TSHRLMNAOPRM1DNM1CA1 | |
| SCHEMBL4635 | 0.89 | — | — | |
| SCHEMBL29399686 | 0.89 | — | — | |
| Hexane SCHEMBL27700895 | 0.86 | OPRM1 (0.40) | TSHRLMNAOPRM1DNM1THRB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101680293-B | A process for producing hydrocarbon fluids combining in situ heating, a power plant and a gas plant | EXXONMOBIL UPSTREAM RES CO | 2014-06-18 | — | — | CN | disclosed |
| CN-1184213-C | Methods for crystallization of N-(1-(s)-ethoxycarbonyl-3-phenylpropyl)-L-alanine N-carboxyanhydride | KANEGAFUCHI CHEMICAL IND (JP) | 2005-01-12 | — | — | CN | disclosed |
| CN-1380881-A | Methods for crystallization of N-(1-(s)-ethoxycarbonyl-3-phenylpropyl)-L-alanine N-carboxyanhydride | KANEGAFUCHI CHEMICAL IND (JP) | 2002-11-20 | — | — | CN | disclosed |
| US-6153089-A | Upgradation of undesirable olefinic liquid hydrocarbon streams | INDIAN OIL CORPORATION LIMITED (IN) | 2000-11-28 | — | — | US | disclosed |