Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.44 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.44 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11189408 | 0.98 | KCNH2 (0.53) | KCNH2AOC3CNR2PKMSIGMAR1 | |
| SCHEMBL11193197 | 0.98 | KCNH2 (0.53) | KCNH2AOC3CNR2PKMSIGMAR1 | |
| SCHEMBL11189119 | 0.98 | KCNH2 (0.53) | KCNH2AOC3CNR2PKMSIGMAR1 | |
| Hydrochloric Acid SCHEMBL11260429 | 0.96 | KCNH2 (0.51) | KCNH2AOC3CNR2PKMSIGMAR1 | |
| SCHEMBL11181580 | 0.94 | AOC3 (0.52) | KCNH2AOC3PKMCARM1PRMT6 | |
| Isopropylamine SCHEMBL28331184 | 0.92 | KCNH2 (0.44) | KCNH2AOC3CNR2PKMSIGMAR1 | |
| Nitric Acid SCHEMBL11127779 | 0.86 | CNR2 (0.47) | KCNH2CNR2PKMALDH1A1CA12 | |
| SCHEMBL9643574 | 0.86 | AOC3 (0.56) | AOC3CNR2SIGMAR1CARM1PRMT6 | |
| SCHEMBL28166290 | 0.82 | SIGMAR1 (0.59) | AOC3SIGMAR1 | |
| SCHEMBL22870759 | 0.80 | KCNH2 (0.62) | KCNH2DRD2OPRM1DRD3OPRD1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1786838-B1 | COMPOSITIONS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF TUMOR | GENENTECH INC (US) | 2010-04-14 | — | — | EP | claimed |
| WO-2015160224-A1 | MULTI-COMPONENT HOST MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2015-10-22 | — | — | WO | disclosed |
| US-6472538-B1 | HIGH YIELD COUPLING, HYDROGENATION AND CYCLIZATION TO FORM CHEMICAL INTERMEDIATES FOR HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-29 | — | — | US | disclosed |
| US-5679841-A | USING A HYDROPHOBIC SOLVENT PHASE AND AN AQUEOUS PHASE CONTAINING A STRONG ACID AND AN AUXILIARY AMINE; NEUTRALIZATION OF AQUEOUS PHASE | BAYER AKTIENGESELLSCHAFT (DE) | 1997-10-21 | — | — | US | disclosed |
| US-5648520-A | DISTILLATION, SOLVENT EXTRACTION | BAYER AKTIENGESELLSCHAFT (DE) | 1997-07-15 | — | — | US | disclosed |