Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 9/20 | 0.39 |
| ▸ | TP53 | P04637 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 6/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6988021 | 0.93 | NPC1 (0.39) | KMT2ANPC1HPGDSMN1; SMN2MAPT | |
| SCHEMBL6988745 | 0.91 | CTSK (0.35) | KMT2ANPC1HPGDSMN1; SMN2MAPT | |
| SCHEMBL6993839 | 0.90 | HTR1A (0.39) | KMT2ANPC1HPGDSMN1; SMN2MAPT | |
| SCHEMBL6294364 | 0.89 | TP53 (0.38) | HPGDMAPTTP53LMNAALDH1A1 | |
| SCHEMBL6986470 | 0.89 | HPGD (0.38) | KMT2ANPC1HPGDSMN1; SMN2MAPT | |
| SCHEMBL6997966 | 0.87 | MEN1 (0.34) | KMT2AMEN1ALDH1A1POLB | |
| SCHEMBL6993342 | 0.85 | KMT2A (0.40) | KMT2ANPC1SMN1; SMN2MAPTTP53 | |
| SCHEMBL6998484 | 0.85 | TRPV1 (0.39) | HDAC3HDAC1HDAC2 | |
| SCHEMBL6994067 | 0.84 | RAB9A (0.41) | KMT2ANPC1SMN1; SMN2TP53LMNA | |
| SCHEMBL6993081 | 0.82 | CTSK (0.35) | KMT2ANPC1SMN1; SMN2MAPTLMNA |
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-1358176-A2 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | Amura Therapeutics Limited (GB) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002057246-A2 | INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES | AMURA THERAPEUTICS LIMITED (GB) | 2002-07-25 | — | — | WO | disclosed |