Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2347852 | 0.70 | CYP2A6 (0.37) | CYP2A6SLC6A3SLC6A4MDM2KDM4E | |
| SCHEMBL4564608 | 0.64 | PYGL (0.42) | HRH4 | |
| SCHEMBL12993141 | 0.64 | CYP2A6 (0.44) | CYP2A6SLC6A3SLC6A4AKR1C3HRH4 | |
| SCHEMBL4949929 | 0.61 | CYP2A6 (0.41) | CYP2A6SLC6A3SLC6A4AKR1C3HRH4 | |
| SCHEMBL73543 | 0.59 | AOC3 (0.47) | CYP2A6SLC6A3SLC6A4KDM4EHSD17B10 | |
| SCHEMBL7973510 | 0.58 | SLC6A3 (0.43) | SLC6A3SLC6A4HTR2CHRH4 | |
| SCHEMBL9402149 | 0.58 | BRD4 (0.42) | SLC6A3SLC6A4BRD4CA12CA1 | |
| SCHEMBL734704 | 0.58 | OPRL1 (0.50) | — | |
| SCHEMBL12534038 | 0.58 | AOC3 (0.41) | CYP2A6SLC6A3SLC6A4KDM4ECYP1A2 | |
| SCHEMBL2138875 | 0.57 | DAO (0.49) | SLC6A3SLC6A4KDM4EHSD17B10 |
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-2010172-A2 | INDOLES AND BENZOIMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR | Janssen Pharmaceutica, N.V. (BE) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007117401-A2 | INDOLES AND BENZOIMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-10-18 | — | — | WO | disclosed |