Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.47 |
| ▸ | ADH1C | P00326 | 1/20 | 0.47 |
| ▸ | ADH1A | P07327 | 1/20 | 0.47 |
| ▸ | ADH7 | P40394 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3305801 | 0.80 | ADH1B (0.55) | ADH1BADH1CADH1AADH7EPHX2 | |
| SCHEMBL24652924 | 0.77 | ADH1B (0.52) | ADH1BADH1CADH1AADH7EPHX2 | |
| SCHEMBL30739093 | 0.77 | IDO1 (0.42) | RORCEPHX2NR1H4ESR1ESR2 | |
| SCHEMBL8763196 | 0.75 | ADH1B (0.76) | ADH1BADH1CADH1AADH7 | |
| SCHEMBL8763390 | 0.74 | ESR1 (0.44) | RORCEPHX2ESR1ESR2LOXL2 | |
| SCHEMBL3310761 | 0.73 | ADH1B (0.55) | ADH1BADH1CADH1AADH7 | |
| SCHEMBL6563317 | 0.73 | KIF11 (0.41) | RORCESR1ESR2DHODHTP53 | |
| SCHEMBL517816 | 0.73 | LOXL2 (0.59) | ADH1BADH1CADH1AADH7EPHX2 | |
| SCHEMBL12044712 | 0.72 | CYP2A6 (0.50) | RORCESR1ESR2TP53 | |
| SCHEMBL309341 | 0.71 | LOXL2 (0.48) | RORCESR1ESR2LOXL2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020142842-A1 | CRYSTALLINE FORMS OF (S)-2-(7-CYANO-1H-BENZIMIDAZOL-1 YL)- N-{1-[4-(1-CYANO-1-METHYLETHYL)PHENYL]ETHYL}ACETAMIDE | NEOMED INSTITUTE - INSTITUT NEOMED (CA) | 2020-07-16 | — | — | WO | disclosed |