Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 8/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL16994503 | 1.00 | P2RX7 (0.41) | P2RX7EPHX2ALDH1A1SIGMAR1KDM4E | |
| SCHEMBL17271392 | 0.87 | HCRTR2 (0.32) | ALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL17271393 | 0.87 | HCRTR2 (0.32) | ALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL16994507 | 0.87 | P2RX7 (0.43) | P2RX7EPHX2ALDH1A1SIGMAR1KDM4E | |
| SCHEMBL9902441 | 0.87 | P2RX7 (0.43) | P2RX7EPHX2ALDH1A1SIGMAR1KDM4E | |
| SCHEMBL9901419 | 0.85 | KDM4E (0.33) | P2RX7KDM4EKMT2A | |
| SCHEMBL16994499 | 0.85 | KDM4E (0.33) | P2RX7KDM4EKMT2A | |
| SCHEMBL17271378 | 0.84 | P2RX7 (0.39) | P2RX7EPHX2KDM4EKMT2A | |
| SCHEMBL16994512 | 0.84 | P2RX7 (0.39) | P2RX7EPHX2KDM4EKMT2A | |
| SCHEMBL18727709 | 0.83 | MEN1 (0.35) | P2RX7RAB9AKMT2ANPC1CYP1A2 |
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-2649048-A1 | MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF | Radikal Therapeutics Inc. (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012077108-A1 | MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF | RADIKAL THERAPEUTICS INC. (US) | 2012-06-14 | — | — | WO | disclosed |