Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6171093 | 1.00 | CHRNB2 (0.35) | CHRNB2CHRNB4CHRNA3CHRNA4OPRM1 | |
| SCHEMBL4028380 | 0.84 | L3MBTL1 (0.43) | OPRM1OPRL1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4029654 | 0.84 | L3MBTL1 (0.43) | OPRM1OPRL1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6172551 | 0.81 | ALDH1A1 (0.39) | CYP3A4TSHRALDH1A1CTSLCTSS | |
| SCHEMBL6173847 | 0.79 | LMNA (0.42) | CYP3A4TSHRALDH1A1 | |
| SCHEMBL4028340 | 0.75 | SLC6A2 (0.41) | OPRM1OPRL1SLC6A2TSHRSLC6A4 | |
| SCHEMBL4027425 | 0.75 | SLC6A2 (0.41) | OPRM1OPRL1SLC6A2TSHRSLC6A4 | |
| SCHEMBL4027422 | 0.75 | SLC6A2 (0.41) | OPRM1OPRL1SLC6A2TSHRSLC6A4 | |
| SCHEMBL4021145 | 0.73 | ALDH1A1 (0.40) | OPRM1OPRL1ALDH1A1 | |
| SCHEMBL4022452 | 0.73 | ALDH1A1 (0.40) | OPRM1OPRL1ALDH1A1 |
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-1569934-A2 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004055010-A2 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |