Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 9/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9412611 | 0.94 | MAPT (0.51) | MAPTROCK2ENPP2TSHRTP53 | |
| SCHEMBL9412515 | 0.87 | JAK2 (0.47) | ROCK2TSHRJAK2JAK1TYK2 | |
| SCHEMBL9412697 | 0.86 | SMN1; SMN2 (0.47) | MAPTTSHRTP53NPC1HPGD | |
| SCHEMBL9412544 | 0.84 | HDAC1 (0.48) | MAPTROCK2TP53RAB9AALDH1A1 | |
| SCHEMBL9412623 | 0.84 | MAPT (0.46) | MAPTROCK2NPC1RAB9APOLB | |
| SCHEMBL9412477 | 0.84 | HDAC1 (0.42) | ROCK2TP53NPC1SMN1; SMN2JAK2 | |
| SCHEMBL9412609 | 0.84 | HDAC1 (0.44) | TP53NPC1JAK2JAK1TYK2 | |
| SCHEMBL9412505 | 0.82 | TSHR (0.45) | TSHRALDH1A1MEN1USP2HPGD | |
| SCHEMBL9412586 | 0.81 | RORC (0.46) | ROCK2 | |
| SCHEMBL9412665 | 0.80 | MAPT (0.45) | MAPTROCK2NPC1RAB9APOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0611660-A2 | Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds | Dr. Karl Thomae GmbH (DE) | 1994-08-24 | — | — | EP | disclosed |