Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.60 |
| ▸ | EGFR | P00533 | 5/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.49 |
| ▸ | F3 | P13726 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14473090 | 1.00 | CYP1A2 (0.60) | CYP1A2EGFRBCHEACHEPTGS2 | |
| SCHEMBL5585133 | 1.00 | CYP1A2 (0.60) | CYP1A2EGFRBCHEACHEPTGS2 | |
| SCHEMBL4138976 | 0.94 | MAPT (0.53) | CYP1A2BCHEACHEPTGS2MAPT | |
| SCHEMBL4138972 | 0.94 | MAPT (0.53) | CYP1A2BCHEACHEPTGS2MAPT | |
| SCHEMBL13902581 | 0.94 | MAPT (0.53) | CYP1A2BCHEACHEPTGS2MAPT | |
| SCHEMBL9619525 | 0.90 | CYP1A2 (0.65) | CYP1A2EGFRBCHEACHEPTGS2 | |
| SCHEMBL11818301 | 0.90 | CYP1A2 (0.65) | CYP1A2EGFRBCHEACHEPTGS2 | |
| SCHEMBL3438451 | 0.88 | MAPT (0.50) | CYP1A2EGFRMAPTNPC1RAB9A | |
| SCHEMBL3438449 | 0.88 | MAPT (0.50) | CYP1A2EGFRMAPTNPC1RAB9A | |
| SCHEMBL11847128 | 0.87 | CYP1A2 (0.60) | CYP1A2EGFRBCHEACHEPTGS2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1247797-B1 | Cycloalkanone Derivates | MERCK PATENT GMBH (DE) | 2007-07-04 | — | — | EP | disclosed |
| US-6939479-B2 | Cycloalkanone derivatives | MERCK PATENT GMBH (DE) | 2005-09-06 | — | — | US | disclosed |
| US-20030080321-A1 | Cycloalkanone derivatives | MERCK KGAA (DE) | 2003-05-01 | — | — | US | disclosed |
| EP-1247797-A2 | Cycloalkanone Derivates | MERCK PATENT GmbH (DE) | 2002-10-09 | — | — | EP | disclosed |