Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | APAF1 | O14727 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 10/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | UBE2N | P61088 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CLTC | Q00610 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9704004 | 0.78 | MAPT (0.57) | ALDH1A1SMN1; SMN2KDM4EAPAF1GAA | |
| SCHEMBL5309421 | 0.66 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2KDM4EAPAF1GAA | |
| SCHEMBL9701868 | 0.66 | TYMS (0.76) | ALDH1A1KDM4EBRD4LMNAHPGD | |
| Hydrochloric Acid SCHEMBL9080389 | 0.65 | ALDH1A1 (0.97) | ALDH1A1SMN1; SMN2KDM4EAPAF1GAA | |
| SCHEMBL28277899 | 0.65 | CYP1B1 (0.67) | ALDH1A1SMN1; SMN2KDM4EAPAF1GAA | |
| SCHEMBL9702392 | 0.64 | MAPT (0.79) | ALDH1A1SMN1; SMN2KDM4EAPAF1GAA | |
| SCHEMBL7362762 | 0.64 | HTR6 (0.55) | ALDH1A1CA1CA2USP2 | |
| SCHEMBL9703980 | 0.64 | TYMS (0.62) | ALDH1A1KDM4EGAANPSR1BRD4 | |
| SCHEMBL18537338 | 0.62 | CYP1B1 (0.62) | ALDH1A1SMN1; SMN2KDM4EAPAF1GAA | |
| SCHEMBL18537332 | 0.62 | HDAC1 (0.71) | ALDH1A1SMN1; SMN2KDM4EAPAF1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0550566-A1 | ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS (US) | 1993-07-14 | — | — | EP | disclosed |
| WO-1992005153-A1 | ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1992-04-02 | — | — | WO | disclosed |