Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 1/20 | 0.54 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.54 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.54 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.54 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.54 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.46 |
| ▸ | RXRA | P19793 | 4/20 | 0.43 |
| ▸ | RXRB | P28702 | 4/20 | 0.43 |
| ▸ | RXRG | P48443 | 4/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.41 |
| ▸ | PHGDH | O43175 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3737498 | 0.83 | CYP1A2 (0.55) | CYP1A2PTGDR2PTGS2MEN1LMNA | |
| SCHEMBL3736961 | 0.83 | CYP1A2 (0.55) | CYP1A2PTGDR2PTGS2MEN1LMNA | |
| SCHEMBL9890672 | 0.80 | PSEN1 (0.61) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL3740107 | 0.80 | CYP1A2 (0.51) | CYP1A2APPMEN1LMNAMAPT | |
| SCHEMBL9890676 | 0.79 | PSEN1 (0.59) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL9892653 | 0.76 | PSEN1 (0.56) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL4649430 | 0.76 | APP (0.51) | AKR1C3AKR1C2RORCAPPPTGS2 | |
| SCHEMBL9892659 | 0.76 | PTGDR2 (0.59) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL27928945 | 0.75 | CYP3A4 (0.46) | AKR1C3AKR1C2PTGS2MEN1LMNA | |
| SCHEMBL4937999 | 0.75 | CYP1A2 (0.63) | CYP1A2AKR1C3AKR1C2RXRARXRB |
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-1817031-A1 | NOVEL SPECIFIC CASPASE-10 INHIBITORS | Merck Patent GmbH (DE) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006058592-A1 | NOVEL SPECIFIC CASPASE-10 INHIBITORS | MERCK PATENT GMBH (DE) | 2006-06-08 | — | — | WO | disclosed |