Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | CASP7 | P55210 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| Questiomycin B SCHEMBL27861973 | 0.83 | ALOX15 (0.60) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| Aniline SCHEMBL9226304 | 0.82 | TSHR (0.55) | CYP3A4MEN1KMT2ATDP1ALDH1A1 | |
| Propylene Oxide SCHEMBL7628559 | 0.78 | MAPT (0.47) | CYP3A4ALOX15CASP1SMN1; SMN2MEN1 | |
| Biphenyl SCHEMBL1950563 | 0.76 | ALDH1A1 (0.50) | SMN1; SMN2MEN1KMT2AALDH1A1TSHR | |
| Anthracene SCHEMBL27883190 | 0.74 | CYP2A6 (0.39) | CYP3A4ALOX15CASP1CASP7TDP1 | |
| Catechol SCHEMBL8055246 | 0.74 | ALDH1A1 (0.53) | CYP3A4ALOX15SMN1; SMN2TDP1ALDH1A1 | |
| Chlorobenzene SCHEMBL29027164 | 0.74 | TSHR (0.58) | MEN1KMT2ATDP1ALDH1A1L3MBTL1 | |
| Toluene SCHEMBL27963582 | 0.74 | ACHE (0.58) | SMN1; SMN2MEN1KMT2ATDP1ALDH1A1 | |
| Propylene Oxide SCHEMBL7623275 | 0.73 | PNMT (0.43) | SMN1; SMN2ALDH1A1L3MBTL1TSHRKDM4E | |
| Ethane SCHEMBL21408556 | 0.73 | CYP3A4 (0.83) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0724908-B1 | Process for hydrogenating an aromatic ring containing compound using a ruthenium Raney catalyst | SHOWA DENKO KK (JP) | 2002-04-24 | — | — | EP | disclosed |
| US-6245920-B1 | REACTING A 5-MEMBERED CYCLIC CARBOXYLIC ANHYDRIDE WITH HYDROGEN IN THE PRESENCE OF NOBLE METAL RANEY CATALYST TO REDUCE A CARBONYLOXY GROUP OF THE COMPOUND INTO A METHYLENEOXY GROUP TO CREATE A 5-MEMBERED LACTONE RING | SHOWA DENKO K.K. (JP) | 2001-06-12 | — | — | US | disclosed |
| US-6215030-B1 | CATALYTIC REDUCTION OF ACIDS, ESTERS AND ANHYDRIDES TO ALCOHOLS | SHOWA DENKO K.K. (JP) | 2001-04-10 | — | — | US | disclosed |
| US-6018048-A | PREPARING COMPOUNDS WITH HYDROGENATED RING STRUCTURE BY REACTING AN AROMATIC RING-CONTAINING COMPOUND WITH HYDROGEN IN THE PRESENCE OF A RANEY CATALYST COMPRISING AT LEAST 50% WEIGHT OF RUTHENIUM; MILDER TEMPERATURE, PRESSURE CONDITIONS | SHOWA DENKO K.K. (JP) | 2000-01-25 | — | — | US | disclosed |
| EP-0934920-A2 | Preparation of hydrogenated compounds using noble metal Raney catalysts | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1999-08-11 | — | — | EP | disclosed |
| EP-0724908-A1 | Noble metal raney catalysts and preparation of hydrogenated compounds using such catalysts | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1996-08-07 | — | — | EP | disclosed |