Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.36 |
| ▸ | HRH2 | P25021 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | CDK11B | P21127 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6232900 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6236907 | 0.82 | NOS1 (0.45) | HRH4HRH3SMYD3SLC6A3LOXL2 | |
| SCHEMBL16028301 | 0.77 | HDAC6 (0.45) | SMYD3SLC6A3TP53SMN1; SMN2NPC1 | |
| SCHEMBL4664005 | 0.72 | SMYD3 (0.40) | SMYD3SLC6A3NOS1SMN1; SMN2NPC1 | |
| Trifluoroacetic Acid SCHEMBL6234364 | 0.71 | CTSA (0.38) | NOS1 | |
| Trifluoroacetic Acid SCHEMBL6234357 | 0.71 | CTSA (0.38) | NOS1 | |
| Trifluoroacetic Acid SCHEMBL6232984 | 0.70 | ALDH1A1 (0.47) | ALDH1A1TP53HTTSMN1; SMN2NPC1 | |
| SCHEMBL6232989 | 0.70 | ALDH1A1 (0.37) | SMYD3SLC6A3NOS1ALDH1A1TP53 | |
| SCHEMBL6199061 | 0.70 | SLC6A3 (0.44) | SLC6A3NOS1TP53HTTSMN1; SMN2 | |
| SCHEMBL1366842 | 0.68 | — | — |
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 |