Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | GPR132 | Q9UNW8 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.46 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6447561 | 1.00 | ALDH1A1 (0.55) | ALDH1A1CYP3A4GPR132MEN1LMNA | |
| SCHEMBL7269614 | 0.90 | GPR132 (0.61) | ALDH1A1CYP3A4GPR132MEN1LMNA | |
| SCHEMBL12330200 | 0.90 | CYP3A4 (0.55) | ALDH1A1CYP3A4GPR132MEN1LMNA | |
| SCHEMBL7269609 | 0.90 | GPR132 (0.61) | ALDH1A1CYP3A4GPR132MEN1LMNA | |
| SCHEMBL6446200 | 0.89 | GPR132 (0.60) | ALDH1A1CYP3A4GPR132MEN1LMNA | |
| SCHEMBL6446192 | 0.89 | GPR132 (0.60) | ALDH1A1CYP3A4GPR132MEN1LMNA | |
| SCHEMBL12467326 | 0.88 | CYP3A4 (0.55) | ALDH1A1CYP3A4GPR132MEN1LMNA | |
| Lithium Ion SCHEMBL6446195 | 0.88 | CYP3A4 (0.53) | ALDH1A1CYP3A4GPR132MEN1LMNA | |
| SCHEMBL12401100 | 0.86 | CYP3A4 (0.52) | ALDH1A1CYP3A4GPR132MEN1LMNA | |
| SCHEMBL6448729 | 0.84 | CTSB (0.47) | MEN1KMT2ANAMPTCTSLCTSB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839798-B1 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LAB (US) | 2005-08-17 | — | — | EP | disclosed |
| EP-0402646-B1 | Retroviral protease inhibiting compounds | ABBOTT LAB (US) | 1998-07-22 | — | — | EP | disclosed |
| 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 |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |