Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2850755 | 1.00 | CYP2D6 (0.36) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1549219 | 0.83 | LMNA (0.39) | CYP2D6LMNAADRB2ADRB1AOC3 | |
| SCHEMBL7150299 | 0.82 | IDO1 (0.42) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10595562 | 0.82 | IDO1 (0.42) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27763771 | 0.80 | CYP2D6 (0.35) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2208538 | 0.80 | LMNA (0.50) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10353690 | 0.80 | CYP2D6 (0.35) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16685696 | 0.80 | LMNA (0.50) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8662137 | 0.78 | CYP3A4 (0.40) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11606150 | 0.78 | CYP3A4 (0.44) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3114126-A1 | 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | Actelion Pharmaceuticals Ltd (CH) | 2017-01-11 | — | — | EP | disclosed |
| EP-3083567-A1 | ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES | Actelion Pharmaceuticals Ltd (CH) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015132228-A1 | 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-09-11 | — | — | WO | disclosed |
| WO-2015091741-A1 | ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2015-06-25 | — | — | WO | disclosed |
| EP-0123495-A1 | Process for preparing carboxylic acids from vicinal water-soluble diols | Montedison S.p.A. (IT) | 1984-10-31 | — | — | EP | disclosed |
| EP-0059497-A1 | Photographic silver halide colour materials and process for the production of dye images by diffusion transfer | AGFA-GEVAERT N.V. (BE) | 1982-09-08 | — | — | EP | disclosed |