Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 7/20 | 0.35 |
| ▸ | TP53 | P04637 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6993081 | 0.91 | CTSK (0.35) | SMN1; SMN2KMT2ANPC1MAPTLMNA | |
| SCHEMBL6989694 | 0.90 | KMT2A (0.40) | HTR1ADRD2DRD1DRD4DRD5 | |
| SCHEMBL6994214 | 0.88 | MEN1 (0.36) | KMT2ANPC1MAPTLMNAALDH1A1 | |
| SCHEMBL6986470 | 0.88 | HPGD (0.38) | SMN1; SMN2KMT2ANPC1HPGDMAPT | |
| SCHEMBL6988021 | 0.86 | NPC1 (0.39) | SMN1; SMN2KMT2ANPC1HPGDMAPT | |
| SCHEMBL6994341 | 0.86 | KMT2A (0.38) | SMN1; SMN2KMT2ANPC1MAPTLMNA | |
| SCHEMBL6294793 | 0.83 | CTSB (0.45) | HTR1ADRD2DRD1DRD4DRD5 | |
| SCHEMBL6986649 | 0.82 | HTR1A (0.40) | HTR1ADRD2DRD1DRD4DRD5 | |
| SCHEMBL6988745 | 0.81 | CTSK (0.35) | SMN1; SMN2KMT2ANPC1HPGDMAPT | |
| SCHEMBL6294364 | 0.80 | TP53 (0.38) | HPGDMAPTTP53LMNAALDH1A1 |
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 |