Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | TKT | P29401 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23674873 | 1.00 | CYP11B1 (0.41) | CYP11B1CYP11B2CA12CA2CA7 | |
| SCHEMBL20609634 | 0.84 | MAOB (0.49) | CYP11B1CYP11B2CA12CA2CA7 | |
| SCHEMBL8115284 | 0.84 | ALDH1A1 (0.47) | ALDH1A1GAAGFERHDAC1MAPT | |
| SCHEMBL1790018 | 0.84 | POLB (0.50) | CYP11B1CYP11B2CA12CA2CA7 | |
| SCHEMBL2131234 | 0.84 | TKT (0.41) | TKTALDH1A1GAAGFERLMNA | |
| Hydrochloric Acid SCHEMBL27658705 | 0.84 | CYP4F2 (0.49) | ALDH1A1GAALMNAMAPTKMT2A | |
| SCHEMBL6888877 | 0.83 | ALDH1A1 (0.43) | TKTALDH1A1GAAGFERPOLB | |
| SCHEMBL23674766 | 0.83 | HSD17B10 (0.43) | TKTALDH1A1GAAGFERLMNA | |
| SCHEMBL23542476 | 0.82 | SMN1; SMN2 (0.44) | ALDH1A1HDAC1LMNAMAPTHTT | |
| SCHEMBL14533077 | 0.81 | CYP11B1 (0.41) | CYP11B1CYP11B2CA12CA2CA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4093400-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | The Trustees of Princeton University (US) | 2022-11-30 | — | — | EP | disclosed |