Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.43 |
| ▸ | AURKA | O14965 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2785339 | 0.77 | HIF1A (0.45) | AURKBGAAALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL2787618 | 0.76 | KDR (0.48) | ALDH1A1LMNATSHRNPSR1SMN1; SMN2 | |
| SCHEMBL2786203 | 0.74 | MAPT (0.48) | AURKBAURKAGAAALDH1A1HPGD | |
| SCHEMBL2769680 | 0.73 | MAOB (0.44) | GAAALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL2785205 | 0.68 | ALDH1A1 (0.38) | AURKBALDH1A1LMNAHPGDALOX15 | |
| SCHEMBL2769685 | 0.67 | LMNA (0.36) | CYP1A2CYP2D6CYP2C19AURKBAURKA | |
| SCHEMBL2785840 | 0.67 | NOX1 (0.36) | AURKBGAAALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL22289855 | 0.66 | EPHX1 (0.54) | CYP1A2CYP2D6CYP2C19GAALMNA | |
| SCHEMBL2784439 | 0.66 | KIT (0.39) | AURKBAURKAGAAALDH1A1LMNA | |
| SCHEMBL24479568 | 0.65 | GAA (0.74) | GAAALDH1A1LMNASMN1; SMN2POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1881967-B1 | SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS | GRUENENTHAL GMBH (DE) | 2010-04-28 | — | — | EP | claimed |