Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.56 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | TP53 | P04637 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | PDE4A | P27815 | 2/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4248720 | 0.83 | RXFP1 (0.76) | NPC1RAB9AALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL8071365 | 0.82 | NPC1 (0.56) | NPC1RAB9AALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL8079371 | 0.79 | NPC1 (0.65) | NPC1RAB9AALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL8086822 | 0.79 | ROCK2 (0.55) | NPC1RAB9AALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL8086755 | 0.79 | RAB9A (0.50) | NPC1RAB9AALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL8086791 | 0.78 | NPC1 (0.51) | NPC1RAB9AALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL13391762 | 0.76 | KMT2A (0.69) | NPC1RAB9AALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL8086251 | 0.74 | RAB9A (0.48) | NPC1RAB9AALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL8086421 | 0.73 | ALDH1A1 (0.64) | NPC1RAB9AALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL14395027 | 0.73 | CYP2C9 (0.55) | ALDH1A1SMN1; SMN2KMT2APKMPDE4A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009016088-A1 | THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-05 | — | — | WO | disclosed |