Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.30 |
| ▸ | CD44 | P16070 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL30065639 | 1.00 | BRD4 (0.35) | BRD4CREBBPHTR2CS1PR5PDE7A | |
| SCHEMBL21936675 | 0.93 | BRD4 (0.33) | BRD4CREBBPHTR2CS1PR5PDE7A | |
| SCHEMBL21845453 | 0.83 | HTR2C (0.33) | BRD4CREBBPHTR2CPDE7AHDAC4 | |
| SCHEMBL21936696 | 0.78 | PDK2 (0.37) | — | |
| SCHEMBL21936943 | 0.77 | CD44 (0.30) | CD44 | |
| SCHEMBL31304876 | 0.77 | CD44 (0.30) | CD44 | |
| SCHEMBL31359428 | 0.77 | HTR1A (0.38) | PDE7A | |
| SCHEMBL21132537 | 0.77 | KRAS (0.34) | BRD4CREBBPHTR2CTRPA1CD44 | |
| SCHEMBL24258180 | 0.77 | HDAC4 (0.40) | S1PR5HDAC4 | |
| SCHEMBL21911577 | 0.77 | GABRA1 (0.35) | HTR2CS1PR5CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2649066-A1 | HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS | Autifony Therapeutics Limited (GB) | 2013-10-16 | — | — | EP | claimed |
| WO-2012076877-A1 | HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS | AUTIFONY THERAPEUTICS LIMITED (GB) | 2012-06-14 | — | — | WO | claimed |
| 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 |