Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7286728 | 0.84 | TSHR (0.37) | ALDH1A1EPHX2TSHRNAAAATM | |
| SCHEMBL4767066 | 0.84 | TSHR (0.37) | ALDH1A1EPHX2TSHRNAAAATM | |
| SCHEMBL8759979 | 0.82 | CTSL (0.37) | ALDH1A1EPHX2TSHRNAAAATM | |
| SCHEMBL10526692 | 0.82 | ALDH1A1 (0.34) | ALDH1A1EPHX2TSHRNAAAATM | |
| SCHEMBL7297178 | 0.82 | TSHR (0.35) | ALDH1A1EPHX2TSHRNAAAATM | |
| SCHEMBL21522913 | 0.82 | MAPT (0.39) | ALDH1A1EPHX2TSHRNAAACYP1A2 | |
| SCHEMBL7771226 | 0.80 | NAAA (0.41) | EPHX2TSHRNAAA | |
| SCHEMBL14920073 | 0.77 | ALDH1A1 (0.42) | ALDH1A1EPHX2TSHRNAAAATM | |
| SCHEMBL1424706 | 0.75 | EPHX1 (0.35) | TSHRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4753063 | 0.75 | EPHX1 (0.35) | TSHRCYP1A2CYP3A4CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2782903-A1 | NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN | F.HOFFMANN-LA ROCHE AG (CH) | 2014-10-01 | — | — | EP | disclosed |
| WO-2013076063-A1 | NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN | F. HOFFMANN-LA ROCHE AG (CH) | 2013-05-30 | — | — | WO | disclosed |