Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | MC5R | P33032 | 1/20 | 0.38 |
| ▸ | MC3R | P41968 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.38 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8536346 | 0.87 | MMP2 (0.40) | MMP2CTSDMC4RMC5RMC3R | |
| SCHEMBL8534863 | 0.86 | HTT (0.47) | CPB2 | |
| SCHEMBL8539753 | 0.80 | CTSD (0.39) | CTSDCPB2 | |
| SCHEMBL8536393 | 0.77 | CTSD (0.52) | MMP2CTSD | |
| SCHEMBL8536153 | 0.74 | CTSD (0.55) | MMP2PSMB5CTSD | |
| SCHEMBL8534831 | 0.74 | HTT (0.46) | CTSD | |
| SCHEMBL23615410 | 0.72 | MMP2 (0.61) | MMP2ITGB3ITGA2BHDAC3HDAC4 | |
| SCHEMBL25674461 | 0.72 | MMP2 (0.61) | MMP2ITGB3ITGA2BHDAC3HDAC4 | |
| SCHEMBL7269984 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL9011676 | 0.69 | CTSL (0.53) | CTSD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839798-A2 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LABORATORIES (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5670675-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1997-09-23 | — | — | US | disclosed |
| US-5545750-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS | ABBOTT LABORATORIES (US) | 1996-08-13 | — | — | US | disclosed |