Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.30 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.30 |
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 SCHEMBL9754608 | 0.99 | HTT (0.35) | ALDH1A1CYP2D6PAX8HTTMTNR1A | |
| SCHEMBL9754590 | 0.93 | HTT (0.33) | ALDH1A1CYP2D6PAX8HTTMTNR1A | |
| Hydrochloric Acid SCHEMBL9754610 | 0.91 | HTT (0.35) | ALDH1A1CYP2D6HTTMTNR1AMTNR1B | |
| SCHEMBL9754594 | 0.83 | HTR1B (0.35) | ALDH1A1CYP2D6HTTPDCD1CD274 | |
| Hydrochloric Acid SCHEMBL9754578 | 0.82 | HTR1B (0.34) | ALDH1A1CYP2D6HTTMEN1KMT2A | |
| SCHEMBL9779193 | 0.81 | KDM4E (0.40) | ALDH1A1CYP2D6HTTMAOBKMT2A | |
| SCHEMBL9525920 | 0.79 | CYP1A2 (0.47) | ALDH1A1CYP2D6MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9526903 | 0.78 | CYP1A2 (0.46) | ALDH1A1CYP2D6MEN1KMT2A | |
| SCHEMBL9754557 | 0.78 | CA12 (0.39) | ALDH1A1CYP2D6PAX8MTNR1AMTNR1B | |
| SCHEMBL9778848 | 0.77 | SLC2A1 (0.48) | ALDH1A1HTTMAOB |
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-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 |
| 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 |