Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4350659 | 0.81 | CYP2A6 (0.57) | IDO1NPC1RAB9ASMN1; SMN2LMNA | |
| O-Xylene SCHEMBL7770810 | 0.80 | ALDH1A1 (0.48) | RAB9ASMN1; SMN2LMNAMAPTTTR | |
| SCHEMBL98097 | 0.78 | CYP2A6 (0.52) | RAB9APTGS2ALDH1A1ALDH1A3KDM4E | |
| SCHEMBL29350085 | 0.78 | CYP2A6 (0.52) | RAB9APTGS2ALDH1A1ALDH1A3KDM4E | |
| Hydrazine SCHEMBL27345905 | 0.74 | ALDH1A1 (0.48) | RAB9APTGS2ALDH1A1ALDH1A3KDM4E | |
| SCHEMBL4338516 | 0.74 | ALDH1A1 (0.47) | IDO1NPC1RAB9ASMN1; SMN2LMNA | |
| Cuminaldehyde SCHEMBL4339389 | 0.74 | TYR (0.61) | IDO1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL28446127 | 0.73 | GAA (0.42) | NPC1RAB9ASMN1; SMN2LMNAMAPT | |
| Alcohol SCHEMBL28361987 | 0.73 | ALDH1A1 (0.44) | RAB9APTGS2ALDH1A1ALDH1A3KDM4E | |
| SCHEMBL8724149 | 0.71 | UNG (0.48) | IDO1RAB9APTGS2ALDH1A1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1518853-B1 | Method for producing alkyl and/or cycloalkyl-substituted cyclic nitrile | MITSUBISHI GAS CHEMICAL CO (JP) | 2009-03-04 | — | — | EP | disclosed |
| US-7102025-B2 | Method for producing alkyl and/or cycloalkyl-substituted cyclic nitrile | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2006-09-05 | — | — | US | disclosed |
| US-20050124823-A1 | Method for producing alkyl and/or cycloalkyl-substituted cyclic nitrile | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2005-06-09 | — | — | US | disclosed |
| EP-1518853-A1 | Method for producing alkyl and/or cycloalkyl-substituted cyclic nitrile | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2005-03-30 | — | — | EP | disclosed |