Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
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) | ALDH1A1SMN1; SMN2MAPTLMNAHPGD | |
| SCHEMBL154747 | 0.78 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2MAPTLMNAHPGD | |
| Cuminaldehyde SCHEMBL4339389 | 0.77 | TYR (0.61) | ALDH1A1SMN1; SMN2MAPTLMNAHPGD | |
| Ethylbenzene SCHEMBL17458756 | 0.77 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2MAPTLMNAHPGD | |
| Ammonia Solution, Strong SCHEMBL29186824 | 0.76 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2MAPTLMNAHPGD | |
| Cinnamaldehyde SCHEMBL28900043 | 0.75 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2MAPTLMNAHPGD | |
| E-Methyl Cinnamate SCHEMBL28900042 | 0.75 | KMT2A (0.58) | ALDH1A1SMN1; SMN2MAPTLMNAHPGD | |
| SCHEMBL7750599 | 0.75 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2MAPTLMNAHPGD | |
| SCHEMBL4348808 | 0.74 | IDO1 (0.45) | ALDH1A1SMN1; SMN2MAPTLMNAIDO1 | |
| SCHEMBL4941369 | 0.74 | ALDH5A1 (0.52) | ALDH1A1IDO1RAB9ACYP2A6KDM4E |
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 |