Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12719002 | 0.93 | ACHE (0.39) | ACHETDP1PTGS2ALDH1A1CYP3A4 | |
| SCHEMBL17540392 | 0.84 | ALDH1A1 (0.47) | ACHETDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL16258106 | 0.80 | ACHE (0.43) | ACHETDP1PTGS2ALDH1A1MEN1 | |
| SCHEMBL10014228 | 0.80 | ACHE (0.43) | ACHETDP1PTGS2ALDH1A1MEN1 | |
| SCHEMBL8192072 | 0.80 | ACHE (0.43) | ACHETDP1PTGS2ALDH1A1MEN1 | |
| SCHEMBL22872154 | 0.79 | TDP1 (0.44) | ACHETDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL17070827 | 0.79 | RAPGEF4 (0.35) | ACHEPTGS2MEN1KMT2APTGS1 | |
| SCHEMBL16521126 | 0.79 | RAPGEF4 (0.35) | ACHEPTGS2MEN1KMT2APTGS1 | |
| SCHEMBL19288252 | 0.78 | ACHE (0.57) | ACHETDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL4195128 | 0.78 | ACHE (0.57) | ACHETDP1ALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2758398-B1 | SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C | BOEHRINGER INGELHEIM INT (DE) | 2017-08-02 | — | — | EP | disclosed |