Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 SCHEMBL4203459 | 1.00 | TSHR (0.64) | TSHRSMN1; SMN2LMNAALDH1A1HSD17B10 | |
| Heptane SCHEMBL11043045 | 0.97 | TSHR (0.60) | TSHRSMN1; SMN2LMNAALDH1A1HSD17B10 | |
| Decane SCHEMBL5449023 | 0.97 | TSHR (0.60) | TSHRSMN1; SMN2LMNAALDH1A1HSD17B10 | |
| Octane SCHEMBL27973378 | 0.97 | TSHR (0.60) | TSHRSMN1; SMN2LMNAALDH1A1HSD17B10 | |
| Heptane SCHEMBL23751339 | 0.94 | TSHR (0.56) | TSHRSMN1; SMN2LMNAALDH1A1HSD17B10 | |
| Isobutanol SCHEMBL27914538 | 0.93 | TSHR (0.64) | TSHRSMN1; SMN2LMNAALDH1A1HSD17B10 | |
| 1-Pentanol SCHEMBL2917883 | 0.91 | SMN1; SMN2 (0.71) | TSHRSMN1; SMN2LMNAALDH1A1HSD17B10 | |
| Octanol SCHEMBL18986690 | 0.88 | LMNA (0.72) | TSHRSMN1; SMN2LMNAALDH1A1HSD17B10 | |
| 1-Hexanol SCHEMBL8415693 | 0.88 | LMNA (0.72) | TSHRSMN1; SMN2LMNAALDH1A1HSD17B10 | |
| Isobutanol SCHEMBL1128320 | 0.87 | ALDH1A1 (0.69) | TSHRSMN1; SMN2LMNAALDH1A1HSD17B10 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103962091-A | Method for separating EPA (eicosapentaenoic acid) and DHA (docosahexaenoic acid) by using silver ion modified amino silica gel | UNIV DALIAN POLYTECHNIC | 2014-08-06 | — | — | CN | claimed |
| US-5077398-A | Parasiticides; seeding, crystallization in hydrocarbon, alcohol solvent mixture in hot oil | MERCK & CO., INC. (US) | 1991-12-31 | — | — | US | claimed |
| CN-112939848-B | Preparation method of bupivacaine and intermediate (S) -2-piperidinecarboxylic acid thereof | 浙江工业大学 | 2022-07-01 | — | — | CN | disclosed |
| CN-112939848-A | Preparation method of bupivacaine and intermediate (S) -2-piperidinecarboxylic acid thereof | 浙江工业大学 | 2021-06-11 | — | — | CN | disclosed |
| CN-108884038-A | Novel dihydroxy compounds | 本州化学工业株式会社 | 2018-11-23 | — | — | CN | disclosed |
| CN-108884040-A | Novel dihydroxy compounds | 本州化学工业株式会社 | 2018-11-23 | — | — | CN | disclosed |
| CN-108884039-A | The manufacturing method of novel dihydroxy compounds | 本州化学工业株式会社 | 2018-11-23 | — | — | CN | disclosed |
| CN-103962091-B | Method for separating EPA (eicosapentaenoic acid) and DHA (docosahexaenoic acid) by using silver ion modified amino silica gel | 大连工业大学 | 2017-01-25 | — | — | CN | disclosed |
| CN-103962091-A | Method for separating EPA (eicosapentaenoic acid) and DHA (docosahexaenoic acid) by using silver ion modified amino silica gel | UNIV DALIAN POLYTECHNIC | 2014-08-06 | — | — | CN | disclosed |
| EP-1056744-A1 | 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | Aventis Pharmaceuticals Inc. (US) | 2000-12-06 | — | — | EP | disclosed |
| US-6020174-A | (2R,3S)- AND (2S,3R)-ENANTIOMERS OF TRANS-.BETA.-PHENYLGLYCIDIC ESTERS, PREPARED BY LIPASE-MEDIATED ENANTIOSELECTIVE TRANSESTERIFICATION, ARE USED FOR THE SYNTHESIS OF THE TAXOL C-13 SIDE CHAIN | THE BOARD OF GOVERNORS FOR HIGHER EDUCATION (US) | 2000-02-01 | — | — | US | disclosed |
| WO-1999043675-A1 | 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES | AVENTIS PHARMACEUTICALS INC. (US) | 1999-09-02 | — | — | WO | disclosed |
| EP-0417319-B1 | BLOWN POLYPROPYLENE RESIN CONTAINER | MITSUBISHI CHEM CORP (JP) | 1996-10-02 | — | — | EP | disclosed |
| US-5286540-A | With polymethylbutene having better transparency and strength, odorless | MITSUBISHI KASEI CORPORATION (JP) | 1994-02-15 | — | — | US | disclosed |
| EP-0417319-A1 | BLOWN POLYPROPYLENE RESIN CONTAINER | Mitsubishi Chemical Corporation (JP) | 1991-03-20 | — | — | EP | disclosed |