Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | LOX | P28300 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1018750 | 0.84 | CA2 (0.62) | CA2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2212154 | 0.83 | HSD17B10 (0.60) | CA2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL20796169 | 0.81 | ALDH1A1 (0.52) | CA2ALDH1A1HTTTHRATHRB | |
| SCHEMBL11727133 | 0.80 | HDAC1 (0.61) | KMT2ALMNAPOLBCA12CA9 | |
| SCHEMBL13445252 | 0.79 | ALDH1A1 (0.77) | CA2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6470799 | 0.79 | KDM4E (0.66) | ALDH1A1HTTKMT2AMAPTMEN1 | |
| SCHEMBL11309979 | 0.78 | CA2 (0.81) | CA2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11328348 | 0.78 | THRA (0.45) | CA2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7290173 | 0.77 | CA2 (0.54) | CA2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9810736 | 0.76 | CA2 (0.72) | CA2ALDH1A1CYP3A4CYP2C9CYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1349840-B1 | ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO | SIGNAL PHARM LLC (US) | 2009-03-11 | — | — | EP | disclosed |
| US-7442699-B2 | Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-10-28 | — | — | US | disclosed |
| US-7442699-B2 | Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-10-28 | — | — | US | disclosed |
| US-7429599-B2 | Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-09-30 | — | — | US | disclosed |
| US-7429599-B2 | Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-09-30 | — | — | US | disclosed |
| WO-2004084901-A1 | METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK | SIGNAL PHARMACEUTICALS, LLC (US) | 2004-10-07 | — | — | WO | disclosed |