Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 3/20 | 0.34 |
| ▸ | KDR | P35968 | 3/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2480145 | 0.87 | HIF1A (0.37) | HIF1AKCNA5EDNRATAS1R3TAS1R1 | |
| SCHEMBL2467788 | 0.82 | KCNA5 (0.41) | KCNA5NQO1KITKDRAURKA | |
| SCHEMBL30422301 | 0.76 | KCNA5 (0.44) | HIF1AKCNA5TSHRKMT2AKIT | |
| SCHEMBL21232730 | 0.76 | HIF1A (0.49) | HIF1AKCNA5EDNRANQO1HPGD | |
| SCHEMBL2439113 | 0.74 | TSHR (0.48) | HIF1AKCNA5HTTTAS1R3TAS1R1 | |
| SCHEMBL2310118 | 0.72 | IKBKE (0.43) | HIF1ATSHRHPGDNPC1RAB9A | |
| SCHEMBL2447151 | 0.70 | MAPT (0.47) | TAS1R3TAS1R1TP53MAPT | |
| SCHEMBL2309764 | 0.70 | IKBKB (0.40) | HIF1AIKBKBTSHRNPC1RAB9A | |
| SCHEMBL2305834 | 0.69 | HIF1A (0.36) | HIF1AKCNA5TSHRHPGDALDH1A1 | |
| SCHEMBL2480146 | 0.68 | DHFR (0.40) | KCNA5TSHRKITKDRAURKA |
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 |