Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 12/20 | 0.53 |
| ▸ | NPC1 | O15118 | 10/20 | 0.53 |
| ▸ | MAPT | P10636 | 6/20 | 0.53 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.53 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.53 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 6/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30498957 | 1.00 | CYP1A2 (0.63) | CYP1A2CYP3A4RAB9ANPC1MAPT | |
| SCHEMBL23458488 | 0.88 | HTT (0.53) | CYP1A2CYP3A4RAB9ANPC1MAPT | |
| SCHEMBL23458487 | 0.88 | HTT (0.53) | CYP1A2CYP3A4RAB9ANPC1MAPT | |
| SCHEMBL7522459 | 0.81 | RAB9A (0.76) | CYP1A2CYP3A4RAB9ANPC1MAPT | |
| SCHEMBL7522456 | 0.81 | RAB9A (0.76) | CYP1A2CYP3A4RAB9ANPC1MAPT | |
| SCHEMBL19034090 | 0.75 | NOX1 (0.67) | CYP1A2CYP3A4RAB9ANPC1MAPT | |
| SCHEMBL11292752 | 0.75 | CYP1A2 (0.53) | CYP1A2CYP3A4RAB9ANPC1MAPT | |
| SCHEMBL11292755 | 0.75 | CYP1A2 (0.53) | CYP1A2CYP3A4RAB9ANPC1MAPT | |
| SCHEMBL28724436 | 0.75 | RAB9A (0.71) | CYP1A2CYP3A4RAB9ANPC1MAPT | |
| SCHEMBL16268621 | 0.75 | NOX1 (0.67) | CYP1A2CYP3A4RAB9ANPC1MAPT |
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-116444518-A | Green synthesis method of condensed ring triazole compound | 台州学院 | 2023-07-18 | — | — | CN | disclosed |