Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.49 |
| ▸ | KCNH3 | Q9ULD8 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TNK2 | Q07912 | 3/20 | 0.45 |
| ▸ | IGF1R | P08069 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12523516 | 0.83 | ALDH1A1 (0.55) | ALDH1A1MAPK1HPGDHCAR3KCNH3 | |
| SCHEMBL2571027 | 0.80 | KCNH3 (0.58) | ALDH1A1MAPK1HPGDHCAR3KCNH3 | |
| Water SCHEMBL4690707 | 0.78 | KCNH3 (0.57) | ALDH1A1MAPK1HPGDHCAR3KCNH3 | |
| SCHEMBL12459209 | 0.78 | ALDH1A1 (0.51) | ALDH1A1MAPK1HPGDHCAR3KCNH3 | |
| SCHEMBL22752683 | 0.78 | ALDH1A1 (0.51) | ALDH1A1MAPK1HPGDHCAR3KCNH3 | |
| SCHEMBL30181846 | 0.77 | ALDH1A1 (0.52) | ALDH1A1MAPK1HPGDHCAR3KCNH3 | |
| SCHEMBL25951848 | 0.74 | ALDH1A1 (0.47) | ALDH1A1MAPK1HPGDHCAR3KCNH3 | |
| SCHEMBL25950641 | 0.74 | ALDH1A1 (0.47) | ALDH1A1MAPK1HPGDHCAR3KCNH3 | |
| SCHEMBL11190631 | 0.72 | ALDH1A1 (0.51) | ALDH1A1MAPK1HPGDHCAR3KCNH3 | |
| SCHEMBL15358448 | 0.72 | HCAR3 (0.54) | ALDH1A1MAPK1HPGDHCAR3KCNH3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |