Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11026272 | 0.82 | ESR1 (0.35) | ALDH1A1ESR1ESR2RAB9ANPC1 | |
| SCHEMBL1590392 | 0.82 | ESR1 (0.36) | ALDH1A1ESR1ESR2TSHRTDP1 | |
| SCHEMBL14883330 | 0.82 | ACHE (0.53) | ALDH1A1ESR1ESR2RAB9ANPC1 | |
| SCHEMBL29629065 | 0.82 | TSHR (0.53) | ESR1ESR2RAB9ANPC1TSHR | |
| SCHEMBL787696 | 0.79 | ESR1 (0.44) | ALDH1A1ESR1ESR2RAB9ANPC1 | |
| SCHEMBL710303 | 0.79 | ALDH1A1 (0.35) | ALDH1A1ESR1ESR2RAB9ANPC1 | |
| SCHEMBL9862892 | 0.79 | TSHR (0.35) | ALDH1A1ESR1ESR2RAB9ANPC1 | |
| SCHEMBL8384123 | 0.79 | ESR1 (0.44) | ALDH1A1ESR1ESR2RAB9ANPC1 | |
| SCHEMBL244122 | 0.77 | ESR1 (0.42) | ALDH1A1ESR1ESR2RAB9ANPC1 | |
| SCHEMBL14666537 | 0.77 | ESR1 (0.42) | ALDH1A1ESR1ESR2RAB9ANPC1 |
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 181 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112876503-B | Borate compound for cancer boron neutron capture therapeutic medicine and preparation thereof | 中国科学院兰州化学物理研究所 | 2022-04-29 | — | — | CN | claimed |
| CN-112876503-A | Borate compound for cancer boron neutron capture therapeutic medicine and preparation thereof | 中国科学院兰州化学物理研究所 | 2021-06-01 | — | — | CN | claimed |
| EP-2346815-B1 | METHOD FOR PRODUCING COMPOUNDS INCLUDING NITRILE FUNCTIONS | INVISTA Technologies S à r l (CH) | 2016-04-20 | — | — | EP | claimed |
| US-9216952-B2 | Process for preparing antiviral compound | ABBVIE INC. (US) | 2015-12-22 | — | — | US | claimed |
| US-9174207-B2 | Process for producing compounds comprising nitrile functions | INVISTA NORTH AMERICA S.A.R.L. (US) | 2015-11-03 | — | — | US | claimed |
| EP-2411372-B1 | PROCESS FOR PREPARING AN ANTIVIRAL COMPOUND | ABBVIE BAHAMAS LTD (BS) | 2014-07-23 | — | — | EP | claimed |
| WO-2012109343-A2 | IRON COMPLEXES AND METHODS FOR POLYMERIZATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-08-16 | — | — | WO | claimed |
| EP-2411372-A1 | PROCESS FOR PREPARING ANTIVIRAL COMPOUND | Abbott Laboratories (US) | 2012-02-01 | — | — | EP | claimed |
| US-20120004440-A1 | PROCESS FOR PRODUCING COMPOUNDS COMPRISING NITRILE FUNCTIONS | INVISTA NORTH AMERICA SARL | 2012-01-05 | — | — | US | claimed |
| CN-102300843-A | Method for producing compounds including nitrile functions | — | 2011-12-28 | — | — | CN | claimed |
| US-5114899-A | Molybdenum and/or rhenium supported on oxide and promoted with silane and/or disilane compound | SHELL OIL COMPANY (US) | 1992-05-19 | — | — | US | claimed |
| EP-0415073-A2 | Substantially transparent flame retardant aromatic polycarbonate compositions | GENERAL ELECTRIC COMPANY (US) | 1991-03-06 | — | — | EP | claimed |
| US-4954549-A | Substantially transparent flame retardant aromatic polycarbonate compositions | GENERAL ELECTRIC COMPANY (US) | 1990-09-04 | — | — | US | claimed |
| US-4952708-A | REACTING SUBSTITUTED AROMATIC ACID HALIDES WITH SUBSTITUTED DI-OR POLYSILANES USING TRANSITION METAL COMPLEX AS CATALYST | GENERAL ELECTRIC COMPANY (US) | 1990-08-28 | — | — | US | claimed |
| EP-0339455-A2 | Process for preparing biaryl compounds | GENERAL ELECTRIC COMPANY (US) | 1989-11-02 | — | — | EP | claimed |
| EP-0043480-B1 | PROCESS FOR FORMING METALLIC IMAGES | Hitachi, Ltd. (JP) | 1985-04-03 | — | — | EP | claimed |
| US-4347304-A | PHOTOSENSITIZATION WITH DISILANES OR ORGANIC COMPOUNDS HAVING COUPLED GERMANIUM OR TIN MOLECULES; PHOTORESISTS; POSITIVES; PLATING | HITACHI, LTD. (JP) | 1982-08-31 | — | — | US | claimed |
| EP-0043480-A2 | Process for forming metallic images | Hitachi, Ltd. (JP) | 1982-01-13 | — | — | EP | claimed |
| US-4135045-A | PROCESS FOR POLYMERIZATION OF OLEFINS AND CATALYST COMPOSITION THEREFOR | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1979-01-16 | — | — | US | claimed |
| US-4048415-A | TITANIUM-ALUMINUM COORDINATION CATALYSTS | MITSUI PETROCHEMICAL INDUSTRIES LTD. (JA) | 1977-09-13 | — | — | US | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120004440-A1 | PROCESS FOR PRODUCING COMPOUNDS COMPRISING NITRILE FUNCTIONS | NANP, NIT2, LPO | ALDH1A1 3068/4885ESR1 3287/4885ESR2 4353/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.