Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.51 |
| ▸ | RAB9A | P51151 | 7/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.51 |
| ▸ | PLAU | P00749 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | PIR | O00625 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.47 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3566272 | 0.89 | MAPT (0.56) | NPC1RAB9ASMN1; SMN2PLAUKMT2A | |
| SCHEMBL554225 | 0.87 | MAPT (0.51) | KMT2AALDH1A1MEN1HPGDMAPK1 | |
| SCHEMBL30955089 | 0.87 | MAPT (0.51) | KMT2AALDH1A1MEN1HPGDMAPK1 | |
| SCHEMBL3571433 | 0.86 | PYGL (0.55) | NPC1RAB9ASMN1; SMN2PLAUKMT2A | |
| SCHEMBL3571275 | 0.81 | RAB9A (0.57) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| SCHEMBL29906783 | 0.79 | ALDH1A1 (0.47) | SMN1; SMN2KMT2AALDH1A1MEN1TP53 | |
| SCHEMBL2898350 | 0.79 | ALDH1A1 (0.47) | SMN1; SMN2KMT2AALDH1A1MEN1TP53 | |
| SCHEMBL3574814 | 0.78 | PYGL (0.47) | NPC1RAB9ASMN1; SMN2PLAUKMT2A | |
| SCHEMBL3576854 | 0.78 | PYGL (0.47) | NPC1RAB9ASMN1; SMN2PLAUKMT2A | |
| Hydrochloric Acid SCHEMBL29940234 | 0.77 | ALDH1A1 (0.46) | SMN1; SMN2KMT2AALDH1A1MEN1TP53 |
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-1926711-A1 | NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE | F.HOFFMANN-LA ROCHE AG (CH) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007031429-A1 | NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-22 | — | — | WO | disclosed |