Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13012150 | 0.84 | PTGES2 (0.53) | HPGDLMNAL3MBTL1PTGES2MAPT | |
| SCHEMBL14686367 | 0.83 | L3MBTL1 (0.46) | HPGDLMNAL3MBTL1PTGES2MAPT | |
| SCHEMBL29538287 | 0.73 | ALDH1A1 (0.55) | HPGDLMNAL3MBTL1PTGES2MAPT | |
| SCHEMBL908602 | 0.73 | ALDH1A1 (0.55) | HPGDLMNAL3MBTL1PTGES2MAPT | |
| SCHEMBL13012170 | 0.71 | PTGES2 (0.55) | HPGDLMNAL3MBTL1PTGES2MAPT | |
| SCHEMBL5807443 | 0.70 | L3MBTL1 (0.56) | HPGDLMNAL3MBTL1PTGES2MAPT | |
| SCHEMBL18441111 | 0.70 | L3MBTL1 (0.46) | HPGDLMNAL3MBTL1PTGES2MAPT | |
| SCHEMBL5807441 | 0.70 | L3MBTL1 (0.56) | HPGDLMNAL3MBTL1PTGES2MAPT | |
| SCHEMBL13012151 | 0.70 | PTGES2 (0.54) | LMNAL3MBTL1PTGES2MAPTSMN1; SMN2 | |
| SCHEMBL3366569 | 0.70 | TNF (0.49) | HPGDLMNAL3MBTL1MAPTSMN1; SMN2 |
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-1663958-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005028429-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |