Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 2/20 | 0.41 |
| ▸ | CCR5 | P51681 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PREP | P48147 | 2/20 | 0.40 |
| ▸ | CPB1 | P15086 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2579665 | 0.88 | CASP3 (0.41) | CASP3CCR2CCR5CTSKALDH1A1 | |
| SCHEMBL3440819 | 0.86 | ALDH1A1 (0.46) | CASP3CCR2CCR5CASP1CTSK | |
| SCHEMBL3252366 | 0.84 | CCR2 (0.53) | CASP3CCR2CCR5CASP1ALDH1A1 | |
| SCHEMBL3440814 | 0.84 | CCR2 (0.53) | CASP3CCR2CCR5CASP1ALDH1A1 | |
| SCHEMBL2785645 | 0.84 | CCR2 (0.49) | CASP3CCR2CCR5CTSKALDH1A1 | |
| SCHEMBL2785651 | 0.84 | CCR2 (0.49) | CASP3CCR2CCR5CTSKALDH1A1 | |
| SCHEMBL2579666 | 0.82 | CTSK (0.43) | CASP3CCR2CCR5CTSKALDH1A1 | |
| SCHEMBL3945925 | 0.81 | PREP (0.45) | CASP3CASP1CTSKALDH1A1GAA | |
| SCHEMBL3249694 | 0.81 | PREP (0.45) | CASP3CASP1CTSKALDH1A1GAA | |
| SCHEMBL3249696 | 0.81 | PREP (0.45) | CASP3CASP1CTSKALDH1A1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8049019-B2 | Substituted pyrrolidine-2-one compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-11-01 | — | — | US | disclosed |
| EP-2194051-B1 | Process for preparing compounds useful as intermediates for the preparation of modulators of chemokine receptor activity | BRISTOL MYERS SQUIBB CO (US) | 2011-08-31 | — | — | EP | disclosed |
| EP-2046779-B1 | MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY, CRYSTALLINE FORMS AND PROCESS | BRISTOL MYERS SQUIBB CO (US) | 2011-05-18 | — | — | EP | disclosed |