Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7021362 | 0.86 | TSHR (0.42) | PKMESR1ALDH1A1ALOX15KMT2A | |
| SCHEMBL5500613 | 0.78 | PKM (0.50) | PKMESR1ALDH1A1NPSR1ALOX15 | |
| SCHEMBL5698408 | 0.74 | CA12 (0.47) | KMT2AL3MBTL1MEN1HTTKDM4E | |
| SCHEMBL129629 | 0.73 | PKM (0.56) | PKMESR1ALDH1A1NPSR1ALOX15 | |
| SCHEMBL20851656 | 0.69 | PKM (0.46) | PKMESR1ALDH1A1NPSR1ALOX15 | |
| SCHEMBL13096335 | 0.67 | PKM (0.45) | PKMESR1ALDH1A1NPSR1ALOX15 | |
| SCHEMBL5698455 | 0.67 | TSHR (0.53) | ESR1ALDH1A1KMT2AMAPTL3MBTL1 | |
| SCHEMBL1704542 | 0.67 | PKM (0.50) | PKMESR1ALDH1A1NPSR1ALOX15 | |
| SCHEMBL11595292 | 0.67 | PKM (0.50) | PKMESR1ALDH1A1NPSR1ALOX15 | |
| SCHEMBL10632559 | 0.67 | PKM (0.50) | PKMESR1ALDH1A1NPSR1ALOX15 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1275631-B1 | Fluorination with aminosulfur trifluorides | AIR PROD & CHEM (US) | 2006-07-19 | — | — | EP | disclosed |
| EP-1095934-B1 | Process for the synthesis of dialkyl, diaryl, and arylalkyl aminosulphur trifluorides | AIR PROD & CHEM (US) | 2004-03-03 | — | — | EP | disclosed |
| EP-1275631-A2 | Fluorination with aminosulfur trifluorides | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2003-01-15 | — | — | EP | disclosed |
| EP-0908448-B1 | Thermally stable aminosulfur trifluorides | AIR PROD & CHEM (US) | 2001-11-14 | — | — | EP | disclosed |
| US-6242645-B1 | BIOLOGICAL ACTIVITY ENHANCER, DEOXOFLUORINATION AGENT OF INTEREST IN MEDICINAL AND AGROCHEMICAL PRODUCTS | AIR PRODUCTS AND CHEMICALS, INC. | 2001-06-05 | — | — | US | disclosed |
| EP-1095934-A1 | Process for the synthesis of dialkyl, diaryl, and arylalkyl aminosulphur trifluorides | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2001-05-02 | — | — | EP | disclosed |
| US-6222064-B1 | PERFORMING FLUORINATION BY CONTACTING ALCOHOLS, ALDEHYDES, KETONES, EPOXIDES, AND MIXTURES USING A FLUORINATING REAGENT COMPRISING AMINOSULFUR TRIFLUORIDE COMPOUND | AIR PRODUCTS AND CHEMICALS, INC. | 2001-04-24 | — | — | US | disclosed |
| US-6207860-B1 | FLUORINATING AGENTS, FAR LESS POTENTIAL OF VIOLENT DECOMPOSITION AND ATTENDANT HIGH GASEOUS BY-PRODUCT EVOLVEMENT, USEFUL FOR DEOXOFLUORINATION OF ALCOHOLS AND KETONES, | AIR PRODUCTS AND CHEMICALS, INC. | 2001-03-27 | — | — | US | disclosed |
| US-6096922-A | REACTING A SECONDARY AMINE WITH SF.SUB.4 UNDER CONDITIONS SUCH THAT SAID AMINOSULFUR TRIFLUORIDE AND A LIQUID AMINE-HF ADDUCT ARE PRODUCED. | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2000-08-01 | — | — | US | disclosed |
| US-6080886-A | STABLE, EFFICIENT FLUORINATION WITH LESS POTENTIAL OF VIOLENT DECOMPOSITION AND ATTENDANT HIGH GASEOUS BY-PRODUCT EVOLVEMENT; PRODUCING SYNTHETIC DRUGS AND AGROCHEMICAL PRODUCTS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2000-06-27 | — | — | US | disclosed |
| EP-0908448-A1 | Thermally stable aminosulfur trifluorides | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-04-14 | — | — | EP | disclosed |
| EP-0905109-A1 | Fluorination with aminosulfur trifluorides | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-03-31 | — | — | EP | disclosed |