Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPO | P22079 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | DBH | P09172 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19411134 | 0.78 | ALDH1A1 (0.46) | LPOALDH1A1DBHHDAC8HDAC6 | |
| SCHEMBL15486314 | 0.77 | ALDH1A1 (0.43) | LPOALDH1A1DBHHDAC8HDAC6 | |
| SCHEMBL8301883 | 0.77 | SMN1; SMN2 (0.47) | ALDH1A1KDM4EL3MBTL1NOTUMTP53 | |
| SCHEMBL10978576 | 0.75 | DBH (0.57) | LPOALDH1A1DBHKDM4ESMN1; SMN2 | |
| SCHEMBL32676790 | 0.74 | ALDH1A1 (0.41) | LPOALDH1A1DBHHDAC8HDAC6 | |
| SCHEMBL32676540 | 0.73 | ALDH1A1 (0.40) | LPOALDH1A1DBHHDAC8HDAC6 | |
| SCHEMBL32676545 | 0.73 | LPO (0.40) | LPOALDH1A1DBHHDAC8HDAC6 | |
| SCHEMBL28490324 | 0.73 | ALDH1A1 (0.45) | LPOALDH1A1DBHHDAC8HDAC6 | |
| SCHEMBL15488252 | 0.70 | MC4R (0.39) | LPOALDH1A1DBHHDAC8HDAC6 | |
| SCHEMBL587606 | 0.70 | — | — |
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-5098707-A | Thioimidazolium salts as anticoagulants for platelet aggregation inhibitors | MERCK & CO., INC. (US) | 1992-03-24 | — | — | US | disclosed |
| US-5030644-A | Thrombolytic, fibrinolytic therapy | MERCK & CO., INC. (US) | 1991-07-09 | — | — | US | disclosed |
| EP-0411705-A1 | Imidazole compounds and their use as transglutaminase inhibitors | MERCK & CO. INC. (US) | 1991-02-06 | — | — | EP | disclosed |