Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.38 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 5/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | ACACA | Q13085 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13720809 | 1.00 | IDO1 (0.40) | IDO1SYKNPFFR1NPFFR2ALDH1A1 | |
| SCHEMBL13720565 | 1.00 | IDO1 (0.40) | IDO1SYKNPFFR1NPFFR2ALDH1A1 | |
| SCHEMBL13720265 | 0.88 | IDO1 (0.41) | IDO1NPFFR1NPFFR2SIGMAR1KMT2A | |
| SCHEMBL13720690 | 0.88 | IDO1 (0.41) | IDO1NPFFR1NPFFR2SIGMAR1KMT2A | |
| SCHEMBL4022685 | 0.82 | LMNA (0.40) | OPRM1OPRL1L3MBTL1 | |
| SCHEMBL4024901 | 0.82 | LMNA (0.40) | OPRM1OPRL1L3MBTL1 | |
| SCHEMBL13720547 | 0.81 | IDO1 (0.41) | IDO1SYKNPFFR1NPFFR2ALDH1A1 | |
| SCHEMBL13720388 | 0.79 | SLC6A4 (0.36) | OPRM1OPRL1L3MBTL1 | |
| SCHEMBL4681356 | 0.79 | SLC6A4 (0.36) | OPRM1OPRL1L3MBTL1 | |
| SCHEMBL13720163 | 0.79 | SLC6A4 (0.36) | OPRM1OPRL1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569934-B1 | CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-01-23 | — | — | EP | disclosed |