Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPY1R | P25929 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPY2R | P49146 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5699748 | 0.78 | TRPV6 (0.50) | TRPV6KMT2ASMN1; SMN2MEN1HTR2A | |
| SCHEMBL5699813 | 0.71 | L3MBTL1 (0.50) | TRPV6KMT2ASMN1; SMN2HTR2ANPSR1 | |
| SCHEMBL5635018 | 0.70 | CHRM2 (0.71) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17481538 | 0.69 | KMT2A (0.65) | TRPV6KMT2ASMN1; SMN2MEN1NPSR1 | |
| SCHEMBL17481406 | 0.69 | SLC2A1 (0.53) | TRPV6KMT2ASMN1; SMN2MEN1NPSR1 | |
| SCHEMBL7279743 | 0.69 | SLC2A1 (0.80) | KMT2ASMN1; SMN2MEN1MAPTLMNA | |
| Hydrochloric Acid SCHEMBL30401802 | 0.69 | KMT2A (0.67) | TRPV6KMT2ASMN1; SMN2MEN1NPSR1 | |
| SCHEMBL23403564 | 0.68 | KMT2A (0.62) | TRPV6KMT2ASMN1; SMN2MEN1NPSR1 | |
| SCHEMBL5699784 | 0.67 | ALDH1A1 (0.55) | TRPV6SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL14036455 | 0.66 | PPARA (0.55) | KMT2ASMN1; SMN2MEN1HTR2ANPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1687268-A1 | BENZYLETHER AMINE COMPOUNDS USEFUL AS CCR-5 ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005047249-A1 | BENZYLETHER AMINE COMPOUNDS USEFUL AS CCR-5 ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-05-26 | — | — | WO | disclosed |