Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | PTPRC | P08575 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6402204 | 0.82 | MRGPRX4 (0.35) | MRGPRX4CYP2A6CTNNB1WNT3ACA12 | |
| SCHEMBL6609776 | 0.78 | MRGPRX4 (0.39) | MRGPRX4CYP2A6CTNNB1WNT3ACA12 | |
| SCHEMBL6400628 | 0.72 | CYP2A6 (0.43) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| SCHEMBL6399773 | 0.72 | CYP2A6 (0.43) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| Hydrochloric Acid SCHEMBL6404633 | 0.72 | CYP2A6 (0.39) | MRGPRX4CYP2A6CTNNB1WNT3ACA12 | |
| Hydrochloric Acid SCHEMBL6404626 | 0.72 | CYP2A6 (0.39) | MRGPRX4CYP2A6CTNNB1WNT3ACA12 | |
| SCHEMBL6607717 | 0.70 | MRGPRX4 (0.33) | MRGPRX4CTNNB1WNT3ASIGMAR1 | |
| SCHEMBL6607301 | 0.70 | CYP2A6 (0.41) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| SCHEMBL6402200 | 0.69 | MRGPRX4 (0.35) | MRGPRX4CYP2A6CTNNB1WNT3ACA12 | |
| SCHEMBL6406886 | 0.69 | CTSS (0.34) | MRGPRX4CYP2A6CTNNB1WNT3ACA12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1289980-B1 | BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES | SMITHKLINE BEECHAM PLC (GB) | 2004-11-17 | — | — | EP | disclosed |