Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.49 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 2/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL39274 | 0.81 | CES2 (0.55) | PTGS2ALDH1A1 | |
| SCHEMBL3734266 | 0.77 | HSD17B3 (0.56) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL5238958 | 0.76 | LTA4H (0.66) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL584524 | 0.75 | EGFR (0.59) | MAOBNR4A1NR4A2NR4A3HDAC3 | |
| SCHEMBL8412560 | 0.75 | CES2 (0.57) | PTGS2 | |
| SCHEMBL7867841 | 0.73 | MAOB (0.55) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL30539400 | 0.73 | LTA4H (0.68) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL27819250 | 0.73 | HDAC1 (0.47) | LMNAPTGS1PTGS2HDAC3HDAC1 | |
| SCHEMBL4152328 | 0.73 | EGFR (0.72) | MAOBNR4A1NR4A2NR4A3HDAC3 | |
| Tetradecane SCHEMBL28375680 | 0.72 | SLC6A2 (0.57) | LMNACYP1A2PTGS1SLC6A2CYP2C19 |
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-1077694-A1 | ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE | CENTAUR PHARMACEUTICALS, INC. (US) | 2001-02-28 | — | — | EP | claimed |
| WO-1999059576-A1 | ARYL NITRONE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE | CENTAUR PHARMACEUTICALS, INC. (US) | 1999-11-25 | — | — | WO | claimed |