Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | VCP | P55072 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL19472000 | 0.82 | CYP19A1 (0.78) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL19500874 | 0.82 | CYP19A1 (0.78) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL8580709 | 0.82 | ALDH1A1 (0.69) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL7977301 | 0.79 | CYP3A4 (0.67) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL5911216 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL29411164 | 0.78 | ALDH1A1 (1.00) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL1987675 | 0.78 | CYP3A4 (0.71) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL81382 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL29399800 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL5814908 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TDP1HSD17B10CYP3A4ATM |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5278187-A | Cardioprotection drugs | BRITISH TECHNOLOGY GROUP LTD. (GB) | 1994-01-11 | — | — | US | claimed |
| US-5162372-A | Diester-diamide-diamine | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1992-11-10 | — | — | US | claimed |
| US-5149710-A | Pharmaceutical compositions for treating psoriasis | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1992-09-22 | — | — | US | claimed |
| WO-1992000951-A1 | PHARMACEUTICAL COMPOSITIONS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1992-01-23 | — | — | WO | claimed |
| WO-1991000854-A1 | N,N'-DICARBOXYMETHYL, N,N'-DIAMINOCARBONYLMETHYL-DIAMINOALKANE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1991-01-24 | — | — | WO | claimed |
| EP-0408384-A1 | N,N'-dicarboxymethyl, N,N'-dicarbamoylmethyl diaminoalkane derivatives and their use in pharmaceutical compositions. | BTG INTERNATIONAL LIMITED (GB) | 1991-01-16 | — | — | EP | claimed |
| EP-0197752-B1 | PHARMACEUTICAL COMPOSITIONS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1990-09-12 | — | — | EP | claimed |
| US-4902714-A | N,N'-DIPROPARGYLOXYCARBONYLMETHYL-N,N'-DIAMINOCARBONYLMETHYL -1,2-DIAMINOPROPANE | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1990-02-20 | — | — | US | claimed |
| US-4755619-A | Pharmaceutical compositions | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1988-07-05 | — | — | US | claimed |
| CN-108218825-A | A kind of preparation method of 5- chlorine piperonyl cyclonene | 昆山力田医化科技有限公司 | 2018-06-29 | — | — | CN | disclosed |
| CN-107840840-A | A kind of synthesis of berberine important intermediate | 西南民族大学 | 2018-03-27 | — | — | CN | disclosed |
| CN-103833722-B | A kind of preparation method of safrole | SHANGHAI INSTITUTE OF TECHNOLOGY (CN) | 2015-12-09 | — | — | CN | disclosed |
| CN-103833722-A | Method for preparing safrole | SHANGHAI INST TECHNOLOGY | 2014-06-04 | — | — | CN | disclosed |
| EP-0804435-B1 | NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | AVENTIS PHARMA SA (FR) | 2004-03-10 | — | — | EP | disclosed |
| WO-1991000854-A1 | N,N'-DICARBOXYMETHYL, N,N'-DIAMINOCARBONYLMETHYL-DIAMINOALKANE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1991-01-24 | — | — | WO | disclosed |
| EP-0408384-A1 | N,N'-dicarboxymethyl, N,N'-dicarbamoylmethyl diaminoalkane derivatives and their use in pharmaceutical compositions. | BTG INTERNATIONAL LIMITED (GB) | 1991-01-16 | — | — | EP | disclosed |
| EP-0197752-B1 | PHARMACEUTICAL COMPOSITIONS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1990-09-12 | — | — | EP | disclosed |
| US-4902714-A | N,N'-DIPROPARGYLOXYCARBONYLMETHYL-N,N'-DIAMINOCARBONYLMETHYL -1,2-DIAMINOPROPANE | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1990-02-20 | — | — | US | disclosed |
| US-4755619-A | Pharmaceutical compositions | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1988-07-05 | — | — | US | disclosed |
| EP-0197752-A2 | Pharmaceutical compositions | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1986-10-15 | — | — | EP | disclosed |