Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 2/20 | 0.44 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.44 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.44 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8499096 | 0.84 | S1PR1 (0.69) | S1PR1ALDH1A1KMT2AS1PR2S1PR3 | |
| SCHEMBL8497102 | 0.84 | S1PR1 (0.69) | S1PR1ALDH1A1KMT2AS1PR2S1PR3 | |
| SCHEMBL15270887 | 0.84 | S1PR1 (0.69) | S1PR1ALDH1A1KMT2AS1PR2S1PR3 | |
| SCHEMBL10572189 | 0.83 | CALM1 (0.58) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11134702 | 0.82 | NQO1 (0.45) | ALDH1A1CYP1A2NQO1CA12CA1 | |
| SCHEMBL11794640 | 0.81 | S1PR1 (0.65) | S1PR1ALDH1A1KMT2AS1PR2S1PR3 | |
| SCHEMBL20358172 | 0.80 | S1PR1 (0.64) | S1PR1ALDH1A1KMT2AS1PR2S1PR3 | |
| SCHEMBL29518085 | 0.80 | S1PR1 (0.64) | S1PR1ALDH1A1CA12CA1CA2 | |
| SCHEMBL2686941 | 0.80 | S1PR1 (0.67) | S1PR1ALDH1A1KMT2AS1PR2S1PR3 | |
| SCHEMBL5698676 | 0.80 | PPARA (0.48) | S1PR1ALDH1A1S1PR2S1PR3LTA4H |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1200915-C | Process for preparing organic compound | MITSUI CHEMICALS INC (JP) | 2005-05-11 | — | — | CN | disclosed |
| EP-0950649-B1 | A process for preparing oxyalkylene derivatives in the presence of phosphine oxides | MITSUI CHEMICALS INC (JP) | 2003-03-26 | — | — | EP | disclosed |
| US-6130346-A | ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION | MITSUI CHEMICALS, INC. (JP) | 2000-10-10 | — | — | US | disclosed |
| CN-1235141-A | Process for preparing organic compound | MITSUI CHEMICALS INC (JP) | 1999-11-17 | — | — | CN | disclosed |
| EP-0950649-A1 | A process for preparing oxyalkylene derivatives in the presence of phosphine oxides | Mitsui Chemicals, Inc. (JP) | 1999-10-20 | — | — | EP | disclosed |