Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | SLC6A7 | Q99884 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | CKS1B | P61024 | 1/20 | 0.56 |
| ▸ | SKP1 | P63208 | 1/20 | 0.56 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.56 |
| ▸ | SMO | Q99835 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | MGLL | Q99685 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4536729 | 0.86 | HRH3 (0.55) | ALDH1A1SMOPARP1KMT2A | |
| SCHEMBL13115595 | 0.82 | KDM4E (0.67) | ALDH1A1SLC6A7MAPK1L3MBTL1KDM4E | |
| SCHEMBL7141331 | 0.80 | HRH3 (0.53) | ALDH1A1SMOPARP1MEN1KMT2A | |
| SCHEMBL29475033 | 0.79 | UBE2T (0.71) | ALDH1A1KDM4ESMOPARP1POLB | |
| SCHEMBL30289763 | 0.79 | UBE2T (0.71) | ALDH1A1KDM4ESMOPARP1POLB | |
| SCHEMBL27739911 | 0.79 | OPRM1 (0.71) | ALDH1A1L3MBTL1SMOPARP1 | |
| SCHEMBL26297113 | 0.79 | SLC6A7 (0.56) | ALDH1A1SLC6A7MAPK1L3MBTL1KDM4E | |
| SCHEMBL4460927 | 0.79 | RAB9A (0.56) | ALDH1A1L3MBTL1KDM4ESMOPARP1 | |
| SCHEMBL14181741 | 0.78 | GAA (0.52) | ALDH1A1MAPK1L3MBTL1KDM4ESMO | |
| SCHEMBL28684931 | 0.78 | CKS1B (0.84) | ALDH1A1SLC6A7MAPK1L3MBTL1CKS1B |
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-6677452-B1 | PREPARED BY REACTING AMINE WITH PYRIDINE SUBSTITUTED WITH HALOGEN AT POSITION 6 AND WITH CARBOXY OR SULFONYL GROUP AT ANOTHER POSITION TO FORM AMIDE OR SULFONAMIDE, DISPLACING HALOGEN WITH DESIRED DIAMINE | LION BIOSCIENCE AG (DE) | 2004-01-13 | — | — | US | disclosed |
| EP-1218343-A4 | PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2003-06-18 | — | — | EP | disclosed |
| EP-1218343-A1 | PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001025203-A1 | PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-04-12 | — | — | WO | disclosed |