Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| SCHEMBL8158506 | 0.80 | IDO1 (0.40) | SLC6A2SLC6A4SLC6A3MEN1ALDH1A1 | |
| SCHEMBL8133306 | 0.76 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3SIGMAR1MEN1 | |
| SCHEMBL4804093 | 0.74 | SLC6A2 (0.62) | SLC6A2SLC6A4SLC6A3SIGMAR1MEN1 | |
| Hydrochloric Acid SCHEMBL2166733 | 0.73 | SLC6A2 (0.61) | SLC6A2SLC6A4SLC6A3SIGMAR1MEN1 | |
| SCHEMBL3298586 | 0.72 | IDO1 (0.64) | SLC6A2SLC6A4SLC6A3SIGMAR1ALDH1A1 | |
| SCHEMBL8885484 | 0.70 | ALDH1A1 (0.34) | SLC6A2SLC6A4SLC6A3MEN1ALDH1A1 | |
| Propene SCHEMBL2169931 | 0.66 | SLC6A2 (0.53) | SLC6A2SLC6A4SLC6A3SIGMAR1MEN1 | |
| SCHEMBL8139556 | 0.65 | IDO1 (0.45) | SLC6A2SLC6A4SLC6A3SIGMAR1ALDH1A1 | |
| SCHEMBL23240079 | 0.64 | SLC6A4 (0.49) | SLC6A2SLC6A4SLC6A3SIGMAR1MEN1 | |
| SCHEMBL19576554 | 0.64 | PYCR1 (0.56) | SLC6A2SLC6A4SLC6A3SIGMAR1MEN1 |
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-1056451-A1 | BICYCLIC PYRROLE DERIVATIVES AS MCP-1 INHIBITORS | AstraZeneca UK Limited (GB) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999040914-A1 | BICYCLIC PYRROLE DERIVATIVES AS MCP-1 INHIBITORS | ASTRAZENECA UK LIMITED (GB) | 1999-08-19 | — | — | WO | disclosed |