Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.31 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | GABRE | P78334 | 1/20 | 0.31 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.31 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.31 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL5172213 | 0.81 | ABCG2 (0.35) | ABCG2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL163219 | 0.81 | ABCG2 (0.32) | ABCG2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL31478620 | 0.80 | F2 (0.40) | ALDH1A1LMNAMEN1KMT2AMAPT | |
| SCHEMBL7456710 | 0.79 | CA12 (0.33) | ABCG2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL2489503 | 0.79 | GABRG2 (0.35) | ABCG2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL6017630 | 0.79 | TP53 (0.31) | TP53MAPTALOX15HSD17B10 | |
| SCHEMBL6129574 | 0.78 | HPGDS (0.34) | ABCG2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL20595215 | 0.76 | KDM4E (0.45) | GABRA1GABRA3ALDH1A1LMNAGABRB1 | |
| SCHEMBL6573446 | 0.76 | FAAH (0.34) | ALDH1A1MAPT | |
| SCHEMBL9811868 | 0.74 | HSD17B10 (0.32) | ABCG2GABRA1GABRA5GABRA4ALDH1A1 |
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-2552893-A1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011121555-A1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2011-10-06 | — | — | WO | disclosed |