Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC3 | O15438 | 1/20 | 0.58 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | PGR | P06401 | 1/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.58 |
| ▸ | HTR2B | P41595 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.58 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.58 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7385703 | 1.00 | ABCC3 (0.58) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL5839261 | 0.94 | ABCC3 (0.54) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL5369113 | 0.92 | KLK5 (0.50) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL22305240 | 0.91 | CYP3A4 (0.50) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL5373893 | 0.90 | CYP3A4 (0.51) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL30261823 | 0.90 | ABCC3 (0.65) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL7152588 | 0.90 | KLK5 (0.55) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL5368677 | 0.90 | KLK5 (0.55) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL4961238 | 0.89 | ADORA3 (0.64) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL7391504 | 0.88 | ABCC3 (0.47) | ABCC3ABCC4ABCB11PGRABCB1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1170289-A2 | Retroviral protease inhibiting compounds | Abbott Laboratories (US) | 2002-01-09 | — | — | EP | claimed |
| WO-2020159343-A1 | PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING MIDDLE EAST RESPIRATORY SYNDROME | 재단법인 경기도경제과학진흥원 | 2020-08-06 | — | — | WO | disclosed |
| US-7279582-B2 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 2007-10-09 | — | — | US | disclosed |
| WO-2006090264-A1 | A PROCESS FOR THE SYNTHESIS OF 2-AMINO-5-PROTECTED AMINO-3-HYDROXY-1, 6-DIPHENYLHEXANE OR A SALT THEREOF - AN INTERMEDIATE FOR ANTIVIRAL DRUGS | RANBAXY LABORATORIES LIMITED (IN) | 2006-08-31 | — | — | WO | disclosed |
| US-5914332-A | NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS IN TREATING HIV AND AIDS | ABBOTT LABORATORIES (US) | 1999-06-22 | — | — | US | disclosed |