Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ARG1 | P05089 | 3/20 | 0.38 |
| ▸ | ARG2 | P78540 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PPM1B | O75688 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL7483092 | 0.83 | ALDH1A1 (0.40) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL21998280 | 0.82 | MEN1 (0.37) | MEN1KMT2AALDH1A1ATMHCAR2 | |
| SCHEMBL28683111 | 0.80 | EPHX2 (0.37) | ALDH1A1TSHREPHX2CHRM2CHRM4 | |
| SCHEMBL11229001 | 0.78 | CYP3A4 (0.37) | MEN1KMT2AALDH1A1ATMTSHR | |
| SCHEMBL8781565 | 0.78 | ALDH1A1 (0.40) | MEN1KMT2AALDH1A1ATMTSHR | |
| SCHEMBL11600438 | 0.75 | ARG1 (0.34) | ARG1ARG2 | |
| SCHEMBL11602811 | 0.75 | ARG1 (0.35) | ARG1ARG2TSHR | |
| SCHEMBL18828224 | 0.74 | ALDH1A1 (0.38) | MEN1KMT2AALDH1A1TSHRPPM1B | |
| SCHEMBL2524446 | 0.74 | ARG1 (0.34) | ARG1ARG2TSHR | |
| SCHEMBL11225149 | 0.73 | NAAA (0.38) | TSHREPHX2CHRM2CHRM4CHRM5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1324006-C | Beta-amino acid nitrile derivs. | HOFFMANN LA ROCHE (CH) | 2007-07-04 | — | — | CN | disclosed |
| CN-1436168-A | Beta-amino acid nitrile derivs. | HOFFMANN LA ROCHE (CH) | 2003-08-13 | — | — | CN | disclosed |
| EP-0480969-A4 | AMINO ACID ANALOG CCK ANTAGONISTS | — | 1993-01-07 | — | — | EP | disclosed |
| EP-0480969-A1 | AMINO ACID ANALOG CCK ANTAGONISTS | ABBOTT LABORATORIES (US) | 1992-04-22 | — | — | EP | disclosed |