Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 2/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 8/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15216495 | 1.00 | FBP1 (0.49) | FBP1NFE2L2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15216529 | 0.81 | PTGS1 (0.34) | FBP1PTGS1PTGS2TDP1 | |
| SCHEMBL28566965 | 0.80 | FBP1 (0.50) | FBP1NFE2L2CYP1A2NPC1RAB9A | |
| SCHEMBL15216487 | 0.80 | FBP1 (0.50) | FBP1NFE2L2CYP1A2NPC1RAB9A | |
| SCHEMBL15216486 | 0.79 | FBP1 (0.54) | FBP1NFE2L2PKMMAPK1 | |
| SCHEMBL15216509 | 0.79 | FBP1 (0.49) | FBP1CYP1A2CYP2D6NPC1CHRM5 | |
| SCHEMBL4711176 | 0.79 | FBP1 (0.49) | FBP1CYP3A4TDP1 | |
| SCHEMBL15216500 | 0.77 | ALDH1A1 (0.48) | FBP1NFE2L2NPC1PTGS1PTGS2 | |
| SCHEMBL7926738 | 0.77 | ALDH1A1 (0.48) | FBP1NFE2L2NPC1PTGS1PTGS2 | |
| SCHEMBL6260317 | 0.77 | TDP1 (0.59) | FBP1TDP1 |
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 |