Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6155476 | 0.80 | CYP1A2 (0.46) | ALDH1A1LMNAL3MBTL1HTTSMN1; SMN2 | |
| SCHEMBL5549224 | 0.80 | ALDH1A1 (0.44) | ALDH1A1LMNAL3MBTL1SMN1; SMN2HPGD | |
| SCHEMBL7897440 | 0.79 | ALDH1A1 (0.37) | ALDH1A1LMNAL3MBTL1HTTSMN1; SMN2 | |
| SCHEMBL7091621 | 0.76 | CCNB2 (0.50) | ALDH1A1LMNAL3MBTL1HTTSMN1; SMN2 | |
| SCHEMBL6153742 | 0.75 | NFE2L2 (0.44) | ALDH1A1LMNAMAPTKDM4ENPC1 | |
| SCHEMBL9397450 | 0.74 | L3MBTL1 (0.56) | ALDH1A1LMNAL3MBTL1HTTSMN1; SMN2 | |
| SCHEMBL7154959 | 0.73 | ALDH1A1 (0.72) | ALDH1A1LMNAL3MBTL1HTTSMN1; SMN2 | |
| SCHEMBL7158410 | 0.72 | ALDH1A1 (0.48) | ALDH1A1LMNAHTTSMN1; SMN2HPGD | |
| SCHEMBL9643436 | 0.70 | NPC1 (0.75) | ALDH1A1LMNAHTTSMN1; SMN2HPGD | |
| SCHEMBL30862625 | 0.70 | L3MBTL1 (0.72) | ALDH1A1LMNAL3MBTL1HPGDMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6545056-B1 | Aryl nitrone therapeutics and methods for treating inflammatory bowel disease | CENTAUR PHARMACEUTICALS, INC. | 2003-04-08 | — | — | US | claimed |
| WO-2001035951-A2 | ARYL NITRONE THERAPEUTICS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE | CENTAUR PHARMACEUTICALS, INC. (US) | 2001-05-25 | — | — | WO | claimed |
| US-6545056-B1 | Aryl nitrone therapeutics and methods for treating inflammatory bowel disease | CENTAUR PHARMACEUTICALS, INC. | 2003-04-08 | — | — | US | disclosed |
| WO-2001035951-A2 | ARYL NITRONE THERAPEUTICS AND METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE | CENTAUR PHARMACEUTICALS, INC. (US) | 2001-05-25 | — | — | WO | disclosed |