Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 3/20 | 0.31 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9754610 | 0.99 | HTT (0.35) | HTTKDM4EL3MBTL1POLBKCNA3 | |
| SCHEMBL9843700 | 0.93 | ALDH1A1 (0.33) | HTTALDH1A1MTNR1AMTNR1BCYP2D6 | |
| Hydrochloric Acid SCHEMBL9754608 | 0.91 | HTT (0.35) | HTTALDH1A1MTNR1AMTNR1BCYP2D6 | |
| SCHEMBL9754594 | 0.81 | HTR1B (0.35) | HTTALDH1A1CYP2D6PDCD1CD274 | |
| Hydrochloric Acid SCHEMBL9754578 | 0.80 | HTR1B (0.34) | HTTALDH1A1CYP2D6PDCD1CD274 | |
| SCHEMBL9754521 | 0.78 | CA12 (0.39) | HTTKDM4EL3MBTL1KCNA3KCNA5 | |
| SCHEMBL9779193 | 0.74 | KDM4E (0.40) | HTTKDM4EL3MBTL1POLBALDH1A1 | |
| SCHEMBL9525920 | 0.74 | CYP1A2 (0.47) | KDM4EL3MBTL1POLBALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL9526903 | 0.73 | CYP1A2 (0.46) | KDM4EL3MBTL1POLBALDH1A1LMNA | |
| SCHEMBL9754527 | 0.71 | SLC2A1 (0.38) | CYP2C19MAOACD274 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991014688-A1 | HETERO POLYCYCLIC BIOCIDAL COMPOUNDS AND THEIR USE IN MEDECINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-10-03 | — | — | WO | claimed |
| EP-0447703-A1 | Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-25 | — | — | EP | claimed |
| WO-1991014688-A1 | HETERO POLYCYCLIC BIOCIDAL COMPOUNDS AND THEIR USE IN MEDECINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-10-03 | — | — | WO | disclosed |
| EP-0447703-A1 | Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-25 | — | — | EP | disclosed |