Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6153742 | 0.80 | NFE2L2 (0.44) | NFE2L2CYP1A1CYP1A2CYP1B1AR | |
| SCHEMBL7923573 | 0.80 | NFE2L2 (0.42) | HTR2AHTR2CKCNH2NFE2L2CYP1A1 | |
| SCHEMBL7921446 | 0.78 | ALDH1A1 (0.36) | HTR2AHTR2CKCNH2ALDH1A1 | |
| SCHEMBL7922778 | 0.77 | NFE2L2 (0.42) | NFE2L2FBP1ALDH1A1 | |
| SCHEMBL7920975 | 0.76 | ALDH1A1 (0.43) | KCNH2ARALDH1A1 | |
| SCHEMBL7921534 | 0.75 | CYP1A1 (0.49) | NFE2L2CYP1A1CYP1A2CYP1B1ALDH1A1 | |
| SCHEMBL34462751 | 0.72 | PRMT1 (0.57) | HTR2AHTR2CKCNH2CTSLCTSB | |
| SCHEMBL8441698 | 0.72 | NFE2L2 (0.35) | HTR2AHTR2CKCNH2NFE2L2FBP1 | |
| SCHEMBL30977631 | 0.71 | ALDH1A1 (0.43) | HTR2AHTR2CKCNH2NFE2L2CTSL | |
| SCHEMBL21352189 | 0.71 | CYP1A1 (0.42) | HTR2AHTR2CKCNH2NFE2L2CTSL |
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 |