Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28743958 | 0.85 | CYP3A4 (0.34) | SLC6A2SLC6A4SLC6A3ALDH1A1HPGD | |
| SCHEMBL8137220 | 0.85 | ALDH1A1 (0.39) | SLC6A2SLC6A4SLC6A3IDO1ALDH1A1 | |
| SCHEMBL3298586 | 0.78 | IDO1 (0.64) | SLC6A2SLC6A4SLC6A3IDO1ALDH1A1 | |
| SCHEMBL8158506 | 0.76 | IDO1 (0.40) | SLC6A2SLC6A4SLC6A3IDO1ALDH1A1 | |
| SCHEMBL8132166 | 0.76 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3IDO1ALDH1A1 | |
| SCHEMBL23240079 | 0.73 | SLC6A4 (0.49) | SLC6A2SLC6A4SLC6A3IDO1ALDH1A1 | |
| SCHEMBL13680587 | 0.73 | CALM1 (0.50) | ALDH1A1HPGDLMNACYP3A4TAAR1 | |
| SCHEMBL8139556 | 0.70 | IDO1 (0.45) | SLC6A2SLC6A4SLC6A3IDO1ALDH1A1 | |
| SCHEMBL19935701 | 0.70 | PTGS1 (0.39) | ALDH1A1HPGDPOLB | |
| SCHEMBL19002430 | 0.69 | PNMT (0.46) | SLC6A2SLC6A4SLC6A3IDO1ALDH1A1 |
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 |