Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.67 |
| ▸ | RAB9A | P51151 | 4/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22314647 | 0.92 | NPC1 (0.59) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL23402488 | 0.83 | NPC1 (0.54) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL5315652 | 0.82 | P2RX7 (0.54) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL23399584 | 0.81 | NPC1 (0.52) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL23401146 | 0.79 | NPC1 (0.50) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL23401505 | 0.79 | NPC1 (0.51) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL18770513 | 0.79 | NPC1 (0.58) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL28786731 | 0.78 | POLB (0.59) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL10630429 | 0.78 | NPC1 (0.50) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL13495147 | 0.77 | NPC1 (0.67) | NPC1RAB9AMEN1KMT2ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-108473439-B | Pyrazolone derivatives as nitroxyl donors | 卡尔迪奥克斯尔制药公司 | 2022-03-15 | — | — | CN | disclosed |
| WO-2010015657-A2 | NEW ALKOXYPYRAZOLES | INSTITUT PASTEUR (FR) | 2010-02-11 | — | — | WO | disclosed |