Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | GAA | P10253 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8028203 | 0.80 | ALDH1A1 (0.41) | ALDH1A1PDK2PDK4BRD4CREBBP | |
| SCHEMBL7745894 | 0.75 | MEN1 (0.51) | ALDH1A1PDK2PDK4BRD4CREBBP | |
| SCHEMBL38579 | 0.73 | ALDH1A1 (0.44) | ALDH1A1BRD4CREBBPMEN1KMT2A | |
| SCHEMBL29381975 | 0.73 | ALDH1A1 (0.44) | ALDH1A1BRD4CREBBPMEN1KMT2A | |
| SCHEMBL8028186 | 0.73 | KDM4E (0.36) | ALDH1A1BRD4CREBBPMEN1KMT2A | |
| SCHEMBL9629630 | 0.72 | MEN1 (0.38) | ALDH1A1PDK2PDK4BRD4CREBBP | |
| SCHEMBL13323 | 0.71 | ALDH1A1 (0.60) | ALDH1A1PDK2BRD4CREBBPMEN1 | |
| SCHEMBL9148372 | 0.71 | MAPT (0.37) | ALDH1A1BRD4CREBBPMEN1KMT2A | |
| SCHEMBL5999181 | 0.70 | NPC1 (0.53) | ALDH1A1PDK2PDK4BRD4CREBBP | |
| Hydrochloric Acid SCHEMBL30648399 | 0.69 | ALDH1A1 (0.58) | ALDH1A1PDK2BRD4CREBBPMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1833816-B1 | SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS | NOVARTIS AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| EP-0792268-B1 | HYPOLIPIDEMIC BENZOTHIAZEPINES | WELLCOME FOUND (GB) | 2000-02-23 | — | — | EP | disclosed |
| US-5998400-A | Hypolipidemic benzothiazepines | GLAXO WELLCOME INC. (US) | 1999-12-07 | — | — | US | disclosed |
| EP-0792268-A1 | HYPOLIPIDEMIC BENZOTHIAZEPINES | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-09-03 | — | — | EP | disclosed |
| WO-1996016051-A1 | HYPOLIPIDEMIC BENZOTHIAZEPINES | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-05-30 | — | — | WO | disclosed |