Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22401301 | 0.81 | KDM4E (0.47) | AURKARPS6KB1KDM4ETAAR1SMN1; SMN2 | |
| SCHEMBL1522370 | 0.80 | PPARG (0.62) | KDM4ESMN1; SMN2THRBPPARGRXFP1 | |
| SCHEMBL1522628 | 0.80 | ALDH1A1 (0.48) | KDM4EALDH1A1MAPTSMN1; SMN2THRB | |
| SCHEMBL5660996 | 0.79 | IRAK4 (0.53) | AURKARPS6KB1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL2225998 | 0.78 | ALDH1A1 (0.53) | KDM4EALDH1A1MAPTSMN1; SMN2THRB | |
| Fluoride SCHEMBL13517648 | 0.77 | ALDH1A1 (0.52) | KDM4EALDH1A1MAPTSMN1; SMN2THRB | |
| SCHEMBL5753943 | 0.76 | ALDH1A1 (0.50) | ALDH1A1MAPTSMN1; SMN2THRBPPARG | |
| SCHEMBL2023250 | 0.76 | ALDH1A1 (0.57) | KDM4EALDH1A1MAPTSMN1; SMN2THRB | |
| SCHEMBL1315419 | 0.76 | SYK (0.55) | ALDH1A1MAPTSMN1; SMN2THRBPPARG | |
| Fluoride SCHEMBL13518358 | 0.75 | SYK (0.54) | ALDH1A1MAPTSMN1; SMN2THRBPPARG |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7176310-B1 | Pyrimidinecarboxamide derivatives and their use as anti-inflammatory agents | UCB SA (GB) | 2007-02-13 | — | — | US | disclosed |