Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | GABRE | P78334 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.33 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.33 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.33 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.33 |
| ▸ | GLI1 | P08151 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18173431 | 0.76 | GABRA5 (0.43) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL3123484 | 0.75 | GABRA5 (0.37) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL9732660 | 0.71 | GABRA5 (0.44) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL9200769 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL27094462 | 0.69 | GABRA5 (0.42) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL8851488 | 0.68 | SLC6A4 (0.35) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL7470707 | 0.68 | ITGB3 (0.41) | GABRA1GABRA5GABRB2GABRA4ALOX15 | |
| SCHEMBL77050 | 0.67 | CD38 (0.34) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL8851752 | 0.67 | EPHX1 (0.44) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL382836 | 0.66 | — | — |
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-1228070-A1 | HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001029042-A1 | HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |