Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIG1 | P18858 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7924944 | 0.87 | LIG1 (0.51) | LIG1HSD17B10HPGDTSHRMAPK1 | |
| SCHEMBL29168887 | 0.86 | LIG1 (0.57) | LIG1HSD17B10HPGDTSHRMAPK1 | |
| SCHEMBL29168888 | 0.84 | LIG1 (0.55) | LIG1HSD17B10HPGDTSHRMAPK1 | |
| SCHEMBL6686762 | 0.83 | KDM4E (0.47) | LIG1TSHRMAPK1ADRB2ADRB1 | |
| SCHEMBL8754763 | 0.82 | ALDH1A1 (0.54) | LIG1HSD17B10HPGDTSHRMAPK1 | |
| 1-Allyloxy-2-Methoxybenzene SCHEMBL27937762 | 0.81 | POLB (0.57) | LIG1HSD17B10HPGDTSHRMAPK1 | |
| 1,2-Diallyloxybenzene SCHEMBL366516 | 0.81 | HPGD (0.60) | LIG1HSD17B10HPGDTSHRMAPK1 | |
| 1,2-Diallyloxybenzene SCHEMBL29768784 | 0.81 | HPGD (0.60) | LIG1HSD17B10HPGDTSHRMAPK1 | |
| SCHEMBL10451271 | 0.81 | LIG1 (0.46) | LIG1HSD17B10HPGDTSHRMAPK1 | |
| SCHEMBL2032188 | 0.80 | PTGS2 (0.52) | HSD17B10HPGDTSHRMAPK1LMNA |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105555759-A | Compounds with antibacterial activity | FUND MEDINA CT DE EXCELENCIA EN INVESTIG DE MEDICAMENTOS INNOVADORES EN ANDALUCIA | 2016-05-04 | — | — | CN | disclosed |
| CN-101903367-B | Antitumor compounds | PHARMA MAR, S.A. (ES) | 2015-08-05 | — | — | CN | disclosed |
| CN-102190643-B | Antitumoral compounds | PHARMA MAR SA | 2015-02-25 | — | — | CN | disclosed |
| CN-101932592-B | Antitumoral compounds | PHARMA MAR SA | 2014-02-26 | — | — | CN | disclosed |
| CN-103038240-A | Synthetic method for preparing ecteinascidin compounds | PHARMA MAR SA | 2013-04-10 | — | — | CN | disclosed |
| CN-102190643-A | Antitumoral compounds | PHARMA MAR SA | 2011-09-21 | — | — | CN | disclosed |
| CN-101932592-A | Antineoplastic compound | PHARMA MAR SA | 2010-12-29 | — | — | CN | disclosed |
| CN-101903367-A | Antitumor compounds | PHARMA MAR SA | 2010-12-01 | — | — | CN | disclosed |
| EP-0230475-B1 | NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1992-03-18 | — | — | EP | disclosed |
| EP-0169581-B1 | ANTITUSSIVE AND MUCUS REGULATING 2-SUBSTITUTED THIAZOLIDINES | BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) | 1989-12-06 | — | — | EP | disclosed |
| US-4857643-A | Antitussive and mucus regulating 2-substituted thiazolidines | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1989-08-15 | — | — | US | disclosed |
| US-4838924-A | NONPHYTOTOXIC | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1989-06-13 | — | — | US | disclosed |
| US-4798898-A | BRONCHODILATORS | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1989-01-17 | — | — | US | disclosed |
| EP-0169581-A2 | Antitussive and mucus regulating 2-substituted thiazolidines | BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) | 1986-01-29 | — | — | EP | disclosed |
| US-4310527-A | DISORDERS OF CAROIAC RHYTHM AND CORONARY HEART DISEASES AND HYDPERTENSION | CIBA-GEIGY CORPORATION (US) | 1982-01-12 | — | — | US | disclosed |
| US-4140789-A | ADRENERGIC BLOCKING AGENTS, CARDIOTONIC, ANTIARRHYTHMIA, HYPOTENSIVE | CIBA-GEIGY CORPORATION (US) | 1979-02-20 | — | — | US | disclosed |