Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8834727 | 0.75 | ALDH1A1 (0.40) | PGRNOTUMTDP1ALDH1A1CYP11B2 | |
| SCHEMBL8316228 | 0.72 | HTR1A (0.39) | CYP2C19TDP1ALDH1A1HTTMEN1 | |
| SCHEMBL1694255 | 0.71 | MAOB (0.42) | NOTUMALDH1A1CES1MAOAMAOB | |
| SCHEMBL8315773 | 0.71 | TDP1 (0.39) | PGRCYP2C19TDP1ALDH1A1CYP11B2 | |
| SCHEMBL9390887 | 0.69 | MGAT2 (0.42) | PGRNOTUMTDP1ALDH1A1HTT | |
| SCHEMBL9381398 | 0.68 | TDP1 (0.40) | PGRCYP2C19TDP1ALDH1A1HTT | |
| SCHEMBL8310579 | 0.67 | PKM (0.44) | CYP2C19TDP1ALDH1A1HTTMEN1 | |
| SCHEMBL8310186 | 0.67 | TP53 (0.38) | PGRTDP1ALDH1A1HTTMEN1 | |
| SCHEMBL9388746 | 0.66 | AKR1B1 (0.36) | PGRCYP2C19TDP1ALDH1A1HTT | |
| SCHEMBL8834065 | 0.66 | HTR2A (0.47) | CYP2C19TDP1ALDH1A1HTTKDM4E |
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-0626954-B1 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1999-03-17 | — | — | EP | disclosed |
| US-5652252-A | POTASSIUM CHANNEL ACTIVATORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-07-29 | — | — | US | disclosed |
| US-5602152-A | POTASSIUM CHANNEL MODULATOR | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-02-11 | — | — | US | disclosed |
| WO-1994013658-A2 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1994-06-23 | — | — | WO | disclosed |