Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL9905053 | 0.93 | BRD4 (0.35) | BRD4CREBBPPDE7AHTR2CHDAC4 | |
| SCHEMBL30065639 | 0.93 | BRD4 (0.35) | BRD4CREBBPPDE7AHTR2CHDAC4 | |
| SCHEMBL21936677 | 0.79 | PDK2 (0.35) | — | |
| SCHEMBL24258222 | 0.79 | — | — | |
| SCHEMBL21936927 | 0.78 | GABRA1 (0.33) | HTR2CS1PR5 | |
| SCHEMBL21845221 | 0.78 | PTGS1 (0.38) | — | |
| SCHEMBL24046301 | 0.78 | HDAC4 (0.41) | HDAC4S1PR5NOTUM | |
| SCHEMBL21845453 | 0.76 | HTR2C (0.33) | BRD4CREBBPPDE7AHTR2CHDAC4 | |
| SCHEMBL17019676 | 0.74 | PDE7A (0.30) | PDE7A | |
| SCHEMBL21132537 | 0.74 | KRAS (0.34) | BRD4CREBBPHTR2C |
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-3601290-B1 | 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN | SITEONE THERAPEUTICS INC (US) | 2021-11-24 | — | — | EP | disclosed |
| WO-2020072835-A1 | 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN | SITEONE THERAPEUTICS, INC. (US) | 2020-04-09 | — | — | WO | disclosed |