Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.64 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 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 | |
|---|---|---|---|---|
| SCHEMBL3810558 | 0.88 | LOXL2 (0.58) | LOXL2TAAR1ENPP2KDM4ETDP1 | |
| Benzene SCHEMBL28804146 | 0.88 | ENPP2 (0.48) | LOXL2ENPP2KDM4ETDP1MMP3 | |
| SCHEMBL27871594 | 0.88 | ENPP2 (0.48) | LOXL2ENPP2KDM4ETDP1MMP3 | |
| Water SCHEMBL27932616 | 0.88 | ENPP2 (0.48) | LOXL2ENPP2KDM4ETDP1MMP3 | |
| SCHEMBL1332411 | 0.88 | — | — | |
| Benzene SCHEMBL7517467 | 0.88 | ENPP2 (0.48) | LOXL2ENPP2KDM4ETDP1MMP3 | |
| SCHEMBL31402005 | 0.88 | — | — | |
| SCHEMBL37831 | 0.88 | — | — | |
| SCHEMBL1921814 | 0.88 | — | — | |
| SCHEMBL1331365 | 0.88 | — | — |
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-0673363-A4 | PROCESS FOR FORMING ALPHA-AMINONITRILES. | AKZO NOBEL NV (NL) | 1996-04-17 | — | — | EP | disclosed |
| EP-0673363-A1 | PROCESS FOR FORMING ALPHA-AMINONITRILES | Akzo Nobel N.V. (NL) | 1995-09-27 | — | — | EP | disclosed |
| US-5349079-A | Process for forming α-aminonitriles from carbonyl compound and fatty amine hydrohalide | AKZO NOBEL NV (NL) | 1994-09-20 | — | — | US | disclosed |
| WO-1994013625-A1 | PROCESS FOR FORMING ALPHA-AMINONITRILES | AKZO NOBEL N.V. (NL) | 1994-06-23 | — | — | WO | disclosed |