Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.53 |
| ▸ | CTSS | P25774 | 2/20 | 0.53 |
| ▸ | 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 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.52 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.50 |
| ▸ | CTSK | P43235 | 6/20 | 0.49 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.48 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4763048 | 1.00 | CTSL (0.53) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL7408222 | 1.00 | CTSL (0.53) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL12062829 | 0.95 | CTSL (0.56) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL4726420 | 0.95 | CTSL (0.56) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL8298775 | 0.95 | CTSL (0.56) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| Water SCHEMBL4982047 | 0.94 | CTSL (0.57) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL7423094 | 0.92 | SIRT2 (0.53) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL2026644 | 0.89 | SIRT2 (0.52) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL18954330 | 0.88 | ALDH1A1 (0.58) | CTSLCTSSALDH1A1CYP3A4TSHR | |
| SCHEMBL7583002 | 0.87 | CASP1 (0.60) | CTSLCTSSALDH1A1CTSKCASP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2534152-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-12-19 | — | — | EP | disclosed |
| EP-2534154-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011100402-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |
| WO-2011100401-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |
| WO-2002039997-A2 | ACE-2 MODULATING COMPOUNDS AND USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2002-05-23 | — | — | WO | disclosed |