Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3595900 | 0.83 | MEN1 (0.43) | MEN1KMT2ACYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL2023058 | 0.83 | MEN1 (0.43) | MEN1KMT2ACYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL14778273 | 0.78 | — | — | |
| SCHEMBL2025505 | 0.75 | MEN1 (0.45) | MEN1KMT2ACYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL2212129 | 0.75 | CYP3A4 (0.43) | MEN1KMT2ACYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL2026162 | 0.75 | MEN1 (0.45) | MEN1KMT2ACYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL19384865 | 0.74 | TRPA1 (0.42) | MEN1KMT2ACYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL17363044 | 0.72 | MEN1 (0.30) | MEN1KMT2ARIPK1 | |
| SCHEMBL17028981 | 0.72 | LMNA (0.44) | MEN1KMT2AALDH1A1HTTL3MBTL1 | |
| SCHEMBL2211148 | 0.72 | MMP8 (0.40) | MEN1KMT2ACYP3A4CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8008315-B2 | Benzylether and benzylamino beta-secretase inhibitors for the treatment of alzheimer's disease | Merck, Sharp & Dohme Corp. (US) | 2011-08-30 | — | — | US | disclosed |
| US-7829597-B2 | Benzylether and benzylamino beta-secretase inhibitors for the treatment of alzheimer's disease | Merck, Sharp & Dohme, Inc. (US) | 2010-11-09 | — | — | US | disclosed |