Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | GLS | O94925 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8091163 | 1.00 | CASP3 (0.59) | CASP3ALDH1A1POLBNPSR1CA12 | |
| SCHEMBL8950475 | 0.84 | CASP3 (0.60) | CASP3ALDH1A1CA12CA9GLS | |
| SCHEMBL4476083 | 0.84 | CASP3 (0.60) | CASP3ALDH1A1CA12CA9GLS | |
| SCHEMBL4468251 | 0.84 | CASP3 (0.60) | CASP3ALDH1A1CA12CA9GLS | |
| SCHEMBL170913 | 0.80 | CASP3 (0.85) | CASP3ALDH1A1POLBNPSR1CA12 | |
| SCHEMBL31377051 | 0.80 | CASP3 (0.85) | CASP3ALDH1A1POLBNPSR1CA12 | |
| SCHEMBL8083226 | 0.80 | CASP3 (0.49) | CASP3ALDH1A1CA12CA9GLS | |
| SCHEMBL8083231 | 0.80 | CASP3 (0.49) | CASP3ALDH1A1CA12CA9GLS | |
| Methane SCHEMBL4623788 | 0.79 | CASP3 (0.82) | CASP3ALDH1A1POLBNPSR1CA12 | |
| SCHEMBL8260012 | 0.78 | CASP3 (0.54) | CASP3ALDH1A1POLBNPSR1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-6583260-B2 | Such as 2-(N,N-dimethylaminomethyl)-1,3- butadiene); for use in adhesives, sealants, surfactants, elastomers, ionomers, coatings and membranes | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. | 2003-06-24 | — | — | US | disclosed |
| US-20020151673-A1 | Functionalized diene monomers and polymers containing functionalized dienes and methods for their preparation | SHEARES VALERIE V (US) | 2002-10-17 | — | — | US | disclosed |
| US-6344538-B1 | REACTION OF 3-BROMOMETHYL-2,5-HYDROTHIOPHENE-1,1-DIOXIDE WITH NUCLEOPHILE WITH AMINE, HYDROXY, CARBOXY ACID, ESTER OR NITRILE | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. | 2002-02-05 | — | — | US | disclosed |
| EP-0682030-B1 | 8-Amino-10(azabicycloalkyl)-pyrido[1,2,3-d,e] [1,3,4] benzoxadiazine derivatives, process for their preparation and antibacterial agents containing them | BAYER AG (DE) | 2000-07-05 | — | — | EP | disclosed |
| US-6018054-A | INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-01-25 | — | — | US | disclosed |
| EP-0647644-B1 | Antibacterial pyrido 1,2,3-d,e 1,3,4 benzoxacin derivatives | BAYER AG (DE) | 1997-11-05 | — | — | EP | disclosed |
| US-5556979-A | ANIMAL FEEDS | BAYER AKTIENGESELLSCHAFT (DE) | 1996-09-17 | — | — | US | disclosed |
| EP-0588166-B1 | Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives | BAYER AG (DE) | 1996-06-05 | — | — | EP | disclosed |
| US-5508278-A | BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-04-16 | — | — | US | disclosed |
| EP-0682030-A1 | 8-Amino-10(azabicycloalkyl)-pyrido[1,2,3-d,e] [1,3,4] benzoxadiazine derivatives, process for their preparation and antibacterial agents containing them | BAYER AG (DE) | 1995-11-15 | — | — | EP | disclosed |
| EP-0647644-A1 | Antibacterial pyrido 1,2,3-d,e 1,3,4 benzoxacin derivatives | BAYER AG (DE) | 1995-04-12 | — | — | EP | disclosed |
| EP-0588166-A2 | Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives | BAYER AG (DE) | 1994-03-23 | — | — | EP | disclosed |