Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7922778 | 0.86 | NFE2L2 (0.42) | NFE2L2ATMTDP1 | |
| SCHEMBL8441698 | 0.83 | NFE2L2 (0.35) | NFE2L2ATMTDP1PTGS1PTGS2 | |
| SCHEMBL7921446 | 0.83 | ALDH1A1 (0.36) | HTR2AHTR2CKCNH2 | |
| SCHEMBL7914607 | 0.82 | PTGS1 (0.37) | NFE2L2ATMTDP1PTGS1PTGS2 | |
| SCHEMBL7923555 | 0.81 | GAA (0.38) | KCNH2CYP1A1CYP1B1 | |
| SCHEMBL7920975 | 0.81 | ALDH1A1 (0.43) | KCNH2 | |
| SCHEMBL7922797 | 0.80 | HTR2A (0.39) | NFE2L2HTR2AHTR2CKCNH2CYP1A1 | |
| SCHEMBL7921534 | 0.80 | CYP1A1 (0.49) | NFE2L2CYP1A1CYP1B1 | |
| SCHEMBL7914568 | 0.79 | NFE2L2 (0.32) | NFE2L2PTGS1PTGS2 | |
| SCHEMBL15216528 | 0.78 | NFE2L2 (0.45) | NFE2L2 |
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-6194461-B1 | USEFUL AS MEDICAMENT FOR TREATING RETINAL DEGENERATIVE DISORDERS; ALPHA-(2,4-DIFLUOROPHENYL)-N-T-BUTYLNITRONE, AND CORRESPONDING AMINES WHICH WOULD BE CONVERTED IN VIVO TO THE NITRONE, FOR EXAMPLE | SUMITOMO PHARMACEUTICALS CO., LTD. (JP) | 2001-02-27 | — | — | US | disclosed |
| EP-0945426-A1 | NITRONE DERIVATIVES | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1999-09-29 | — | — | EP | disclosed |