Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2894559 | 0.87 | ALDH1A1 (0.47) | ALDH1A1HPGDLMNAPOLBNPC1 | |
| SCHEMBL4961044 | 0.85 | ALDH1A1 (0.48) | ALDH1A1HPGDLMNAPOLBNPC1 | |
| SCHEMBL4964396 | 0.84 | MAPK10 (0.46) | ALDH1A1HPGDLMNAPOLBNPC1 | |
| SCHEMBL2894032 | 0.83 | ALDH1A1 (0.44) | ALDH1A1HPGDLMNAPOLBNPC1 | |
| SCHEMBL2887971 | 0.82 | LMNA (0.48) | ALDH1A1HPGDLMNAPOLBSMN1; SMN2 | |
| SCHEMBL4961190 | 0.82 | SMN1; SMN2 (0.48) | ALDH1A1HPGDLMNAPOLBNPC1 | |
| SCHEMBL4960071 | 0.82 | TP53 (0.43) | ALDH1A1HPGDLMNAPOLBNPC1 | |
| SCHEMBL4961200 | 0.82 | ALDH1A1 (0.41) | ALDH1A1HPGDLMNAPOLBNPC1 | |
| SCHEMBL4960995 | 0.81 | MAPK10 (0.47) | ALDH1A1HPGDLMNAPOLBNPC1 | |
| SCHEMBL4960036 | 0.80 | ALDH1A1 (0.43) | ALDH1A1HPGDLMNAPOLBNPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1896484-A2 | TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER | Nycomed GmbH (DE) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006125813-A2 | TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER | NYCOMED GMBH (DE) | 2006-11-30 | — | — | WO | disclosed |