Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.38 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 4/20 | 0.36 |
| ▸ | AURKA | O14965 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.33 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.33 |
| ▸ | P4HB | P07237 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3929993 | 0.79 | ROCK2 (0.35) | PDE10ACYP3A4CRHR1ACVR1 | |
| SCHEMBL3403559 | 0.78 | NSD2 (0.35) | LMNA | |
| SCHEMBL3373217 | 0.76 | CRHR1 (0.36) | CYP3A4BCHECRHR1ACVR1 | |
| SCHEMBL3452969 | 0.76 | CRHR1 (0.36) | CYP3A4BCHECRHR1ACVR1 | |
| SCHEMBL2923376 | 0.74 | NOS3 (0.40) | PDE10ACYP3A4PDE2ALMNAACVR1 | |
| SCHEMBL7140533 | 0.73 | KDM4E (0.35) | PDE10APDE2ALMNAACVR1 | |
| SCHEMBL4279169 | 0.71 | NOS3 (0.43) | PDE10ACYP3A4PDE2AACVR1 | |
| SCHEMBL18544288 | 0.71 | CCR1 (0.38) | PDE10ACYP3A4PDE2ALMNAACVR1 | |
| SCHEMBL3375901 | 0.71 | CCR1 (0.38) | PDE10ACYP3A4PDE2ALMNAACVR1 | |
| SCHEMBL5505859 | 0.71 | ALK (0.49) | CYP3A4 |
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-1799676-A2 | NEW BICYCLIC ANTIBIOTICS | Actelion Pharmaceuticals Ltd. (CH) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006032466-A2 | NEW BICYCLIC ANTIBIOTICS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-03-30 | — | — | WO | disclosed |