Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24258462 | 0.91 | LMNA (0.42) | ALDH1A1LMNAMAPK1NPC1HPGD | |
| SCHEMBL24258474 | 0.81 | ALDH1A1 (0.45) | ALDH1A1LMNAMAPK1NPC1HPGD | |
| SCHEMBL20444008 | 0.75 | LMNA (0.37) | ALDH1A1LMNAMAPK1NPC1HPGD | |
| SCHEMBL20407984 | 0.70 | RAB9A (0.42) | ALDH1A1LMNAMAPK1NPC1HPGD | |
| SCHEMBL24258468 | 0.69 | ALDH1A1 (0.43) | ALDH1A1LMNAMAPK1NPC1HPGD | |
| SCHEMBL19001405 | 0.68 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPK1NPC1HPGD | |
| SCHEMBL20407917 | 0.68 | ALDH1A1 (0.47) | ALDH1A1LMNAMAPK1NPC1HPGD | |
| SCHEMBL24258466 | 0.68 | ACHE (0.43) | CA12CA1CA2CA9 | |
| SCHEMBL23351302 | 0.68 | LMNA (0.47) | ALDH1A1LMNAMAPK1NPC1HPGD | |
| SCHEMBL24258473 | 0.67 | L3MBTL1 (0.35) | ALDH1A1LMNAMAPK1NPC1HPGD |
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-3351603-A1 | ENCAPSULATED OLIGOMERIC BLOCKED ISOCYANATES | AGFA NV (BE) | 2018-07-25 | — | — | EP | disclosed |