Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 2/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | POLB | P06746 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ITK | Q08881 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4771021 | 0.93 | TGFBR1 (0.48) | TGFBR1MGAMGAASIMGAM2 | |
| SCHEMBL4766163 | 0.91 | RAB9A (0.41) | ALDH1A1POLBSMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL2895460 | 0.88 | NPC1 (0.41) | ALDH1A1POLBSMN1; SMN2MAPTNPC1 | |
| SCHEMBL4768814 | 0.88 | TGFBR1 (0.44) | TGFBR1MGAMGAASIMGAM2 | |
| SCHEMBL4766539 | 0.87 | TGFBR1 (0.42) | TGFBR1MGAMGAASIMGAM2 | |
| SCHEMBL4776053 | 0.85 | ALDH1A1 (0.44) | TGFBR1MGAMGAASIMGAM2 | |
| SCHEMBL4775000 | 0.85 | ALDH1A1 (0.45) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL2891422 | 0.82 | ALDH1A1 (0.47) | TGFBR1MGAMGAASIMGAM2 | |
| SCHEMBL2894804 | 0.82 | NPC1 (0.49) | TGFBR1MGAMGAASIMGAM2 | |
| SCHEMBL4771546 | 0.82 | NPC1 (0.45) | ALDH1A1POLBSMN1; SMN2MAPTNPC1 |
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-1893618-A2 | TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER | Nycomed GmbH (DE) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006125815-A2 | TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER | NYCOMED GMBH (DE) | 2006-11-30 | — | — | WO | disclosed |