Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.44 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25191466 | 1.00 | ALDH1A1 (0.56) | ALDH1A1KDM4EIMPDH2CA12CA1 | |
| SCHEMBL25196784 | 0.91 | ALDH1A1 (0.55) | ALDH1A1KDM4EIMPDH2CA12CA1 | |
| SCHEMBL2525113 | 0.78 | MAPT (0.55) | ALDH1A1KDM4EIMPDH2CA12CA1 | |
| SCHEMBL20394161 | 0.77 | PDE10A (0.45) | ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2 | |
| SCHEMBL31336539 | 0.76 | RAB9A (0.63) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL3256021 | 0.76 | CA12 (0.61) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL25381781 | 0.76 | ALDH1A1 (0.50) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL6903596 | 0.75 | CA12 (0.56) | ALDH1A1KDM4ECA12CA1CA2 | |
| SCHEMBL873827 | 0.75 | CASP1 (0.52) | ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2 | |
| SCHEMBL25187131 | 0.75 | CYP1A2 (0.48) | ALDH1A1KDM4ECA12CA1CA2 |
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-4185564-A1 | TRICYCLIC HETEROCYCLES | Merck Patent GmbH (DE) | 2023-05-31 | — | — | EP | disclosed |