Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.60 |
| ▸ | RAB9A | P51151 | 7/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.60 |
| ▸ | RELA | Q04206 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 5/20 | 0.53 |
| ▸ | MAOA | P21397 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 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 | |
|---|---|---|---|---|
| SCHEMBL8201663 | 0.80 | CYP1A2 (0.52) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL23292537 | 0.78 | MAOB (0.46) | NPC1RAB9AKMT2ACYP1A2CYP2C9 | |
| SCHEMBL8378862 | 0.78 | NPC1 (0.50) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL30842161 | 0.78 | MAOB (0.46) | NPC1RAB9AKMT2ACYP1A2CYP2C9 | |
| SCHEMBL29775908 | 0.77 | SCD5 (0.58) | NPC1RAB9AMEN1KMT2AHPGD | |
| SCHEMBL6818423 | 0.77 | SCD5 (0.58) | NPC1RAB9AMEN1KMT2AHPGD | |
| SCHEMBL4618310 | 0.76 | NPC1 (0.53) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL28678598 | 0.76 | NPC1 (0.66) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL13696743 | 0.76 | NPC1 (1.00) | NPC1RAB9AMEN1KMT2ACYP1A2 | |
| SCHEMBL4618874 | 0.76 | S1PR1 (0.52) | 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-116695145-A | Isoxazole derivative and electrochemical preparation method thereof | 安徽中医药大学 | 2023-09-05 | — | — | CN | disclosed |