Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CASP1 | P29466 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20150841 | 0.78 | RAPGEF4 (0.55) | ALDH1A1TSHRMAPTKDM4ELMNA | |
| SCHEMBL10586957 | 0.77 | MAPT (0.39) | ALDH1A1CYP3A4TSHRMAPTLMNA | |
| SCHEMBL293258 | 0.76 | ALDH1A1 (0.54) | ALDH1A1CASP1CYP3A4TSHRPDE10A | |
| SCHEMBL29633200 | 0.76 | ALDH1A1 (0.54) | ALDH1A1CASP1CYP3A4TSHRPDE10A | |
| SCHEMBL20620435 | 0.75 | MAPT (0.40) | ALDH1A1MAPTKDM4ELMNAMEN1 | |
| SCHEMBL12368472 | 0.75 | RAPGEF4 (0.56) | ALDH1A1CYP3A4TSHRMAPTKDM4E | |
| SCHEMBL18757472 | 0.75 | CASP1 (0.44) | ALDH1A1CASP1CYP3A4TSHRPDE10A | |
| Hydrochloric Acid SCHEMBL11453440 | 0.74 | ALDH1A1 (0.52) | ALDH1A1CASP1CYP3A4TSHRPDE10A | |
| SCHEMBL22778507 | 0.74 | ALDH1A1 (0.52) | ALDH1A1CASP1CYP3A4TSHRPDE10A | |
| SCHEMBL12065127 | 0.74 | ALDH1A1 (0.52) | ALDH1A1CASP1CYP3A4TSHRPDE10A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4985159-A | Alkenylated toluenediamines as antioxidants for organic materials | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1991-01-15 | — | — | US | disclosed |
| EP-0272651-A2 | N-tert-butyl derivatives of toluenediamine and mixtures as antioxidant for organic materials | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1988-06-29 | — | — | EP | disclosed |
| US-4711737-A | FOR HYDROCARBON OILS, RUBBER | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1987-12-08 | — | — | US | disclosed |