Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.32 |
| ▸ | P2RX2 | Q9UBL9 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6232986 | 0.70 | HRH4 (0.40) | ALDH1A1TP53HTTSLC6A3NOS1 | |
| SCHEMBL14895223 | 0.68 | NOS1 (0.45) | ALDH1A1SLC6A3NOS1SMYD3 | |
| SCHEMBL6234367 | 0.67 | ALDH1A1 (0.36) | ALDH1A1TP53HTTNOS1MAPT | |
| SCHEMBL906263 | 0.66 | FAAH (0.30) | — | |
| SCHEMBL4000697 | 0.65 | F2 (0.44) | ALDH1A1HTTSLC6A3NOS1SMYD3 | |
| SCHEMBL17730988 | 0.65 | CYP1A2 (0.42) | TP53HTTNOS1SMYD3PKM | |
| Trifluoroacetic Acid SCHEMBL6234357 | 0.65 | CTSA (0.38) | CTSANOS1 | |
| Trifluoroacetic Acid SCHEMBL6234364 | 0.65 | CTSA (0.38) | CTSANOS1 | |
| SCHEMBL2629266 | 0.64 | SLC6A3 (0.44) | ALDH1A1SLC6A3NOS1SMN1; SMN2RAB9A | |
| SCHEMBL28393898 | 0.64 | CETP (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005000309-A2 | CHEMICAL COMPOUNDS | IONIX PHARMACEUTICALS LIMITED (GB) | 2005-01-06 | — | — | WO | disclosed |