Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.56 |
| ▸ | CTSS | P25774 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CTSK | P43235 | 7/20 | 0.52 |
| ▸ | SIRT2 | Q8IXJ6 | 8/20 | 0.51 |
| ▸ | SIRT1 | Q96EB6 | 5/20 | 0.51 |
| ▸ | SIRT3 | Q9NTG7 | 4/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL254960 | 0.95 | CTSL (0.58) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL3941405 | 0.94 | CTSL (0.57) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL5206542 | 0.90 | CTSK (0.58) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL7761583 | 0.90 | CTSS (0.55) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL15569565 | 0.90 | CTSS (0.55) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL5550159 | 0.90 | CTSS (0.55) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL751179 | 0.89 | CTSL (0.55) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL16907368 | 0.89 | CTSL (0.60) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL6471138 | 0.87 | CTSL (0.53) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL10920444 | 0.87 | TLR2 (0.59) | CTSLCTSSSIRT2SIRT1SIRT3 |
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-2280933-A1 | 2 -AMINOTETRALIN DERIVATIVES AS MU OPIOID RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2011-02-09 | — | — | EP | disclosed |
| EP-2220086-A2 | DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE AGENT | LG Life Sciences Ltd. (KR) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009124022-A1 | 2 -AMINOTETRALIN DERIVATIVES AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2009-10-08 | — | — | WO | disclosed |
| WO-2009082134-A2 | DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS ACTIVE AGENT | LG LIFE SCIENCES, LTD. (KR) | 2009-07-02 | — | — | WO | disclosed |