Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2467786 | 0.87 | HIF1A (0.40) | HIF1ATSHRKCNA5EDNRAIKBKB | |
| SCHEMBL2480146 | 0.83 | DHFR (0.40) | TSHRKCNA5DHFREGFRHTR4 | |
| SCHEMBL2439957 | 0.72 | TSHR (0.51) | HIF1ATSHRKCNA5ALDH1A1MEN1 | |
| SCHEMBL30422301 | 0.72 | KCNA5 (0.44) | HIF1ATSHRKCNA5KMT2AKIT | |
| SCHEMBL21232730 | 0.72 | HIF1A (0.49) | HIF1AKCNA5EDNRANQO1ALDH1A1 | |
| SCHEMBL2438936 | 0.72 | ALDH1A1 (0.40) | HIF1ATSHRALDH1A1LMNAKMT2A | |
| SCHEMBL2467788 | 0.69 | KCNA5 (0.41) | KCNA5DHFREGFRNQO1HTR4 | |
| SCHEMBL2310118 | 0.69 | IKBKE (0.43) | HIF1ATSHRNPC1HPGDRAB9A | |
| SCHEMBL2439113 | 0.68 | TSHR (0.48) | HIF1ATSHRKCNA5ALDH1A1HPGD | |
| SCHEMBL2440327 | 0.68 | KCNA5 (0.48) | HIF1AKCNA5ALDH1A1HPGDMEN1 |
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-1893589-B1 | SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2011-09-14 | — | — | EP | claimed |