Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6049964 | 0.98 | ALDH1A1 (0.40) | ALDH1A1TSHRCYP3A4TDP1CA2 | |
| SCHEMBL12256310 | 0.76 | ALDH1A1 (0.44) | ALDH1A1TSHRCYP3A4TDP1CA2 | |
| SCHEMBL2490299 | 0.75 | TSHR (0.34) | TSHRTDP1CA2SMN1; SMN2 | |
| SCHEMBL10312290 | 0.73 | CYP3A4 (0.48) | ALDH1A1TSHRCYP3A4TDP1CA2 | |
| SCHEMBL3792375 | 0.72 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP3A4TDP1CA2 | |
| SCHEMBL3792378 | 0.72 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP3A4TDP1CA2 | |
| SCHEMBL1529113 | 0.72 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP3A4TDP1CA2 | |
| SCHEMBL9245594 | 0.70 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP3A4TDP1CA2 | |
| SCHEMBL9449561 | 0.68 | CYP3A4 (0.47) | ALDH1A1TSHRCYP3A4TDP1CA2 | |
| Thiocyanic Acid SCHEMBL11807776 | 0.67 | ALDH1A1 (0.45) | ALDH1A1TSHRCYP3A4TDP1CA2 |
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-1201650-B1 | Ionic malonitril derivatives and their uses | CENTRE NAT RECH SCIENT (FR) | 2006-11-22 | — | — | EP | disclosed |
| EP-0850921-B1 | Ionic conductive materials comprising an ionic compound, derived from malononitrile and uses thereof | CENTRE NAT RECH SCIENT (FR) | 2002-09-25 | — | — | EP | disclosed |
| EP-1201650-A2 | Ionic malonitril derivatives and their uses | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2002-05-02 | — | — | EP | disclosed |
| EP-0850921-A1 | Salts of malononitrile derived anions, and their uses as ionic conductive materials | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 1998-07-01 | — | — | EP | disclosed |