Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.66 |
| ▸ | RAB9A | P51151 | 9/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.66 |
| ▸ | MEN1 | O00255 | 3/20 | 0.66 |
| ▸ | HPGD | P15428 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.66 |
| ▸ | RELA | Q04206 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CASP3 | P42574 | 1/20 | 0.54 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.54 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.54 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | HPGDS | O60760 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28930128 | 0.86 | NPC1 (0.65) | NPC1RAB9AKMT2AMEN1HPGD | |
| SCHEMBL4326968 | 0.85 | SMN1; SMN2 (0.57) | NPC1RAB9AKMT2AMEN1HPGD | |
| SCHEMBL4328716 | 0.79 | NPC1 (0.47) | NPC1RAB9AKMT2AMEN1HPGD | |
| SCHEMBL13696743 | 0.79 | NPC1 (1.00) | NPC1RAB9AKMT2AMEN1HPGD | |
| 3,5-Diphenylisoxazole SCHEMBL1421260 | 0.79 | NPC1 (1.00) | NPC1RAB9AKMT2AMEN1HPGD | |
| SCHEMBL26105174 | 0.78 | NPC1 (0.56) | NPC1RAB9AKMT2AMEN1HPGD | |
| SCHEMBL8258186 | 0.77 | NPC1 (0.96) | NPC1RAB9AKMT2AMEN1HPGD | |
| SCHEMBL28670403 | 0.77 | RAB9A (1.00) | NPC1RAB9AKMT2AMEN1HPGD | |
| SCHEMBL17084388 | 0.76 | NPC1 (0.73) | NPC1RAB9AKMT2AMEN1HPGD | |
| SCHEMBL29641427 | 0.76 | RAB9A (0.65) | NPC1RAB9AKMT2AMEN1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-113248455-A | 3, 5-disubstituted isoxazole derivatives and synthesis method thereof | 湖北科技学院 | 2021-08-13 | — | — | CN | disclosed |