Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.42 |
| ▸ | GAA | P10253 | 6/20 | 0.41 |
| ▸ | GLA | P06280 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.37 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | BRD2 | P25440 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9680897 | 0.88 | ALDH1A1 (0.43) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL9680903 | 0.88 | SMN1; SMN2 (0.41) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL9682898 | 0.87 | RARA (0.32) | KDM4ENPSR1MAPT | |
| SCHEMBL9681507 | 0.85 | CASP1 (0.42) | ALDH1A1KDM4EGAAGLARAB9A | |
| SCHEMBL9681489 | 0.85 | ALDH1A1 (0.41) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL9680406 | 0.84 | POLB (0.45) | ALDH1A1KDM4EGAAGLAHPGD | |
| SCHEMBL9681433 | 0.82 | CFTR (0.42) | ALDH1A1KDM4EGAAGLABRD4 | |
| SCHEMBL9680894 | 0.81 | RARA (0.33) | RAB9ANPSR1HTTKMT2AMAPT | |
| SCHEMBL9682059 | 0.81 | MAPT (0.45) | ALDH1A1KDM4EGAAGLATDP1 | |
| SCHEMBL9682129 | 0.72 | ALDH1A1 (0.36) | ALDH1A1CYP3A4TDP1SMN1; SMN2CYP1A2 |
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-5112839-A | CHROMAN DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-05-12 | — | — | US | disclosed |