Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ECE1 | P42892 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | CTRC | Q99895 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | GPR132 | Q9UNW8 | 4/20 | 0.49 |
| ▸ | CMKLR2 | P46091 | 1/20 | 0.49 |
| ▸ | CMKLR1 | Q99788 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6452567 | 0.87 | CA2 (0.56) | ECE1LMNACTRCCYP2C9CYP2C19 | |
| SCHEMBL1817969 | 0.86 | ECE1 (0.70) | ECE1LMNACTRCCYP2C9CYP2C19 | |
| SCHEMBL6931878 | 0.85 | CTRB1 (0.59) | RAB9ANPC1 | |
| SCHEMBL6446529 | 0.85 | LMNA (0.56) | ECE1LMNACTRCCYP2C9CYP2C19 | |
| SCHEMBL6448868 | 0.85 | ROCK2 (0.56) | ECE1CYP2C19CYP3A4RAB9AEPHX2 | |
| SCHEMBL3497405 | 0.82 | GPR132 (0.69) | ECE1LMNACTRCCYP2C9CYP2C19 | |
| SCHEMBL30037998 | 0.82 | GPR132 (0.69) | ECE1LMNACTRCCYP2C9CYP2C19 | |
| SCHEMBL3078645 | 0.82 | LMNA (0.76) | ECE1LMNACTRCCYP2C9CYP2C19 | |
| SCHEMBL2229201 | 0.82 | GPR132 (0.69) | ECE1LMNACTRCCYP2C9CYP2C19 | |
| Nicofetamide SCHEMBL254029 | 0.81 | ECE1 (0.67) | ECE1LMNACTRCCYP2C9CYP2C19 |
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-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 |
| US-5142056-A | Human immunodeficiency virus protease inhibitor | ABBOTT LABORATORIES (US) | 1992-08-25 | — | — | US | disclosed |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |