Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 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 | |
|---|---|---|---|---|
| SCHEMBL6358103 | 0.83 | ALDH1A1 (0.45) | ALDH1A1POLBKDM4EHPGDMEN1 | |
| SCHEMBL6543285 | 0.82 | ALDH1A1 (0.44) | ALDH1A1POLBKDM4EHPGDMEN1 | |
| SCHEMBL8412728 | 0.82 | ALDH1A1 (0.44) | ALDH1A1POLBKDM4EHPGDMEN1 | |
| SCHEMBL8861298 | 0.81 | ALDH1A1 (0.46) | ALDH1A1POLBKDM4EHPGDMEN1 | |
| SCHEMBL6358821 | 0.81 | CTSK (0.44) | ALDH1A1POLBKDM4EHPGDMEN1 | |
| SCHEMBL6359207 | 0.79 | ALDH1A1 (0.39) | ALDH1A1POLBKDM4EHPGDMEN1 | |
| SCHEMBL6362871 | 0.79 | ALDH1A1 (0.39) | ALDH1A1POLBKDM4EHPGDMEN1 | |
| SCHEMBL6362113 | 0.77 | ALDH1A1 (0.38) | ALDH1A1POLBKDM4EHPGDMEN1 | |
| SCHEMBL6357946 | 0.77 | ALDH1A1 (0.38) | ALDH1A1POLBKDM4EHPGDMEN1 | |
| SCHEMBL6356994 | 0.77 | THRA (0.39) | ALDH1A1POLBKDM4EHPGDMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1206442-A4 | SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS | UNIV VIRGINIA COMMONWEALTH (US) | 2004-12-29 | — | — | EP | disclosed |
| EP-1206442-A1 | SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2002-05-22 | — | — | EP | disclosed |
| WO-2001014316-A1 | SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2001-03-01 | — | — | WO | disclosed |