Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 4/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 4/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 4/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 4/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 4/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 4/20 | 0.40 |
| ▸ | CCKBR | P32239 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | CTSV | O60911 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSC | P53634 | 1/20 | 0.38 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2571382 | 0.78 | TSHR (0.43) | CYP2C19PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL3590890 | 0.76 | LMNA (0.52) | CYP2C19CYP3A4CYP2C9BCHELMNA | |
| SCHEMBL6099668 | 0.74 | TSHR (0.46) | CYP2C19PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL15656921 | 0.74 | LMNA (0.36) | CYP2C19CYP3A4CYP2C9PSEN1PSEN2 | |
| SCHEMBL7445879 | 0.73 | TACR1 (0.47) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL1288390 | 0.72 | CYP3A4 (0.47) | CYP2C19CYP3A4CYP2C9PSEN1PSEN2 | |
| SCHEMBL14635790 | 0.72 | GRM2 (0.43) | ALDH1A1MAPT | |
| SCHEMBL2510432 | 0.72 | MEN1 (0.39) | CYP2C19PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL4184332 | 0.72 | KDM4C (0.47) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL7985833 | 0.72 | CYP3A4 (0.47) | CYP2C19CYP3A4CYP2C9PSEN1PSEN2 |
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-2582241-A1 | HETEROCYCLIC FUSED PHENANTHROLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2013-04-24 | — | — | EP | disclosed |
| WO-2011159553-A1 | HETEROCYCLIC FUSED PHENANTHROLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-12-22 | — | — | WO | disclosed |