Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | LSS | P48449 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TLR4 | O00206 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8914904 | 1.00 | CYP1A2 (0.52) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL6746516 | 1.00 | CYP1A2 (0.52) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL6748553 | 1.00 | CYP1A2 (0.52) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL27801936 | 1.00 | CYP1A2 (0.52) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL4657593 | 0.94 | CYP1A2 (0.45) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL8913222 | 0.94 | CYP1A2 (0.45) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL21321664 | 0.94 | CYP1A2 (0.45) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL10705628 | 0.94 | CYP1A2 (0.45) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL8913228 | 0.94 | CYP1A2 (0.45) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL4657594 | 0.94 | CYP1A2 (0.45) | CYP1A2HTTLMNAMAPK1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5651919-A | Benzyl ether derivative and composition containing the same | CITIZEN WATCH CO., LTD. (JP) | 1997-07-29 | — | — | US | disclosed |
| EP-0087032-B1 | BICYCLOHEXYL DERIVATIVES HAVING LIQUID-CRYSTAL PROPERTIES | MERCK PATENT GmbH (DE) | 1985-05-08 | — | — | EP | disclosed |
| EP-0087032-A1 | Bicyclohexyl derivatives having liquid-crystal properties | MERCK PATENT GmbH (DE) | 1983-08-31 | — | — | EP | disclosed |