Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.65 |
| ▸ | RAB9A | P51151 | 8/20 | 0.65 |
| ▸ | MEN1 | O00255 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CASP3 | P42574 | 1/20 | 0.54 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.54 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.54 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HPGDS | O60760 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28677516 | 0.86 | RAB9A (0.65) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| 3,5-Diphenylisoxazole SCHEMBL1421260 | 0.79 | NPC1 (1.00) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL28019210 | 0.78 | RAB9A (0.51) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL31103480 | 0.78 | RAB9A (0.56) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL8258186 | 0.77 | NPC1 (0.96) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL28571637 | 0.73 | KDM4E (0.81) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL4140152 | 0.73 | RAB9A (0.51) | NPC1RAB9AMEN1KMT2AHPGD | |
| SCHEMBL4140149 | 0.73 | RAB9A (0.48) | NPC1RAB9AMEN1KMT2AHPGD | |
| SCHEMBL8377420 | 0.73 | RAB9A (0.51) | NPC1RAB9AMEN1KMT2AHPGD | |
| SCHEMBL28930129 | 0.72 | NPC1 (0.70) | NPC1RAB9AMEN1KMT2ACYP1A2 |
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 |