Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 1/20 | 0.63 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.63 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.63 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.63 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.63 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.63 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | EGFR | P00533 | 2/20 | 0.53 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MLNR | O43193 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SOD1 | P00441 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28108051 | 0.90 | MLNR (0.53) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL23803109 | 0.90 | PSEN1 (0.53) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL9471604 | 0.85 | MLNR (0.60) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL4201675 | 0.83 | PSEN1 (0.53) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL4205920 | 0.82 | PSEN1 (0.55) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL28555506 | 0.82 | POLB (0.48) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL2922447 | 0.81 | POLB (0.49) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL22662755 | 0.81 | POLB (0.56) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL20002876 | 0.81 | ACHE (0.58) | POLBEGFRERBB2KMT2AMAPT | |
| SCHEMBL30963220 | 0.81 | MEN1 (0.60) | PSEN1PSEN2APH1BNCSTNAPH1A |
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-1907372-A1 | SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007003965-A1 | SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2007-01-11 | — | — | WO | disclosed |