Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL11274898 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9 | |
| SCHEMBL1637841 | 0.79 | MTNR1A (0.42) | ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9 | |
| SCHEMBL8770857 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9 | |
| SCHEMBL88322 | 0.73 | ALDH1A1 (0.46) | ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9 | |
| SCHEMBL28915602 | 0.72 | F2 (0.48) | ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9 | |
| SCHEMBL28484680 | 0.72 | ADH1B (0.52) | ALDH1A1TDP1MEN1KMT2AKDM4E | |
| SCHEMBL1415032 | 0.71 | ALDH1A1 (0.44) | ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9 | |
| SCHEMBL496556 | 0.71 | AKT1 (0.46) | ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9 | |
| SCHEMBL496557 | 0.71 | ALDH1A1 (0.44) | ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9 | |
| SCHEMBL1444874 | 0.69 | ALDH1A1 (0.43) | ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0020950-B1 | PROCESS FOR THE PREPARATION OF ALPHA, BETA-UNSATURATED NITRILES FROM ALDEHYDES AND FORMAMIDE | BASF Aktiengesellschaft (DE) | 1982-05-12 | — | — | EP | disclosed |
| US-4315869-A | Preparation of α,β-unsaturated nitriles | BASF AKTIENGESELLSCHAFT (DE) | 1982-02-16 | — | — | US | disclosed |
| EP-0020950-A1 | Process for the preparation of alpha, beta-unsaturated nitriles from aldehydes and formamide | BASF Aktiengesellschaft (DE) | 1981-01-07 | — | — | EP | disclosed |