Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6232899 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6236898 | 0.82 | KDR (0.43) | ALDH1A1TP53SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL5652094 | 0.74 | RAB9A (0.54) | TP53SMN1; SMN2RAB9ANPC1MEN1 | |
| SCHEMBL12121381 | 0.73 | SMN1; SMN2 (0.47) | TP53HTTSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL16113553 | 0.72 | HCAR2 (0.52) | ALDH1A1SMN1; SMN2RAB9ANPC1MAPT | |
| SCHEMBL3794688 | 0.71 | RAB9A (0.62) | TP53HTTSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL15943687 | 0.70 | SMN1; SMN2 (0.49) | ALDH1A1TP53HTTSMN1; SMN2RAB9A | |
| Trifluoroacetic Acid SCHEMBL6232986 | 0.70 | HRH4 (0.40) | ALDH1A1TP53HTTSMN1; SMN2RAB9A | |
| SCHEMBL6361249 | 0.69 | SMN1; SMN2 (0.61) | ALDH1A1TP53HTTSMN1; SMN2RAB9A | |
| SCHEMBL4557739 | 0.68 | MAPK14 (0.50) | ALDH1A1HTTSMN1; SMN2RAB9ANPC1 |
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 |