Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.69 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.57 |
| ▸ | CNR1 | P21554 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | UTS2R | Q9UKP6 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11570396 | 0.98 | KCNH2 (0.67) | KCNH2HPGDGAAATMTRPV1 | |
| SCHEMBL14679387 | 0.85 | HPGD (0.64) | HPGDGAAALDH1A1MAPTKMT2A | |
| SCHEMBL22308457 | 0.85 | ALDH1A1 (0.58) | KCNH2HPGDGAAATMTRPV1 | |
| SCHEMBL5582645 | 0.83 | HDAC1 (0.49) | KCNH2HPGDALDH1A1KDM4EMAPT | |
| SCHEMBL849368 | 0.83 | L3MBTL1 (0.63) | KCNH2CNR1ALDH1A1KDM4EKMT2A | |
| SCHEMBL2276151 | 0.83 | ALDH1A1 (0.56) | HPGDGAACNR1ALDH1A1KMT2A | |
| SCHEMBL1750010 | 0.83 | GAA (0.65) | KCNH2HPGDGAAALDH1A1KDM4E | |
| SCHEMBL13209221 | 0.83 | KCNH2 (0.65) | KCNH2HPGDGAAATMTRPV1 | |
| SCHEMBL8139484 | 0.83 | HDAC1 (0.49) | KCNH2HPGDKDM4EMAPT | |
| SCHEMBL3109264 | 0.83 | KCNH2 (0.49) | KCNH2HPGDGAAATMALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2794595-B1 | HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2017-08-02 | — | — | EP | disclosed |
| EP-0000809-A1 | Anti-inflammatory 1-phenylethanolamine derivatives, pharmaceutical compositions thereof and processes for their manufacture | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1979-02-21 | — | — | EP | disclosed |