Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 9/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 5/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7038078 | 0.94 | S1PR1 (0.39) | S1PR1S1PR5PTGS2NOTUMCTSS | |
| SCHEMBL7198406 | 0.91 | S1PR1 (0.41) | S1PR1S1PR5PTGS2NOTUMDGAT1 | |
| SCHEMBL27757698 | 0.84 | S1PR1 (0.37) | S1PR1S1PR5PTGS2NOTUMCTSS | |
| Hydrochloric Acid SCHEMBL27463582 | 0.83 | PTGS2 (0.38) | S1PR1S1PR5PTGS2CTSSCTSK | |
| SCHEMBL7036422 | 0.82 | CRHR1 (0.33) | — | |
| SCHEMBL7036307 | 0.82 | S1PR1 (0.32) | S1PR1 | |
| SCHEMBL7105433 | 0.81 | S1PR1 (0.35) | S1PR1S1PR5PTGS2CTSSCTSK | |
| SCHEMBL27586776 | 0.81 | S1PR1 (0.35) | S1PR1S1PR5PTGS2CTSSCTSK | |
| SCHEMBL7036530 | 0.81 | EDNRB (0.33) | — | |
| SCHEMBL7194351 | 0.80 | S1PR1 (0.34) | S1PR1S1PR5PTGS2CTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| US-6620953-B1 | Complexing dimethylbis(2-methyl-4,5-benzoindenyl)silane with transition metal compounds such as 2,4-di-tert-butylphenoxide, zirconium monochloride, to form polymerization catalysts | BASSELL POLYOLEFINE GMBH (DE) | 2003-09-16 | — | — | US | disclosed |
| EP-1133504-B1 | METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES | BASELL POLYOLEFINE GMBH (DE) | 2003-03-12 | — | — | EP | disclosed |