Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | FBP1 | P09467 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CHAT | P28329 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL244830 | 0.75 | TDP1 (0.59) | FBP1ALDH1A1TDP1KMT2APOLB | |
| SCHEMBL267779 | 0.75 | TDP1 (0.59) | FBP1ALDH1A1TDP1KMT2APOLB | |
| SCHEMBL6260317 | 0.75 | TDP1 (0.59) | FBP1ALDH1A1TDP1KMT2APOLB | |
| SCHEMBL9631441 | 0.74 | HTR2A (0.41) | NPC1RAB9AMAOBFBP1TDP1 | |
| Hydrogen Sulfide SCHEMBL28326251 | 0.74 | TDP1 (0.58) | FBP1ALDH1A1TDP1KMT2APOLB | |
| SCHEMBL14477633 | 0.73 | NPC1 (0.56) | NPC1RAB9AMAOBFBP1ALDH1A1 | |
| SCHEMBL4314330 | 0.73 | NPC1 (0.56) | NPC1RAB9AMAOBFBP1ALDH1A1 | |
| SCHEMBL13164321 | 0.72 | NPC1 (1.00) | NPC1RAB9AMAOBFBP1ALDH1A1 | |
| SCHEMBL2998732 | 0.72 | NPC1 (1.00) | NPC1RAB9AMAOBFBP1ALDH1A1 | |
| SCHEMBL2069217 | 0.72 | NPC1 (1.00) | NPC1RAB9AMAOBFBP1ALDH1A1 |
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 |