Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | TOP2A | P11388 | 1/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6809750 | 1.00 | S1PR1 (0.40) | S1PR1MGLLMAOBMAOALMNA | |
| SCHEMBL13645874 | 0.80 | MGLL (0.39) | S1PR1MGLLMAOBMAOALMNA | |
| SCHEMBL8835589 | 0.67 | S1PR1 (0.43) | S1PR1MGLLKMT2AALDH1A1CYP1A2 | |
| SCHEMBL21640067 | 0.67 | GAA (0.50) | MGLLHTTCHRM2CHRM3KMT2A | |
| SCHEMBL576999 | 0.66 | LMNA (0.47) | MAOBMAOALMNAHTTNPSR1 | |
| SCHEMBL6967987 | 0.66 | HDAC3 (0.39) | MGLLCHRM2CHRM3KMT2AALDH1A1 | |
| SCHEMBL1972452 | 0.65 | SIGMAR1 (0.49) | L3MBTL1KMT2AALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL6380088 | 0.63 | MAOA (0.42) | MAOBMAOALMNAHTTNPSR1 | |
| SCHEMBL7211090 | 0.63 | GAA (0.39) | S1PR1MGLLLMNAHTTKMT2A | |
| SCHEMBL1438989 | 0.63 | MMP2 (0.40) | MGLLKMT2AKDM4EALDH1A1CYP1A2 |
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-1169339-B1 | MACROCYCLIC PEPTIDES INHIBITING THE HEPATITIS C VIRUS NS3 PROTEASE | BOEHRINGER INGELHEIM CA LTD (CA) | 2004-09-29 | — | — | EP | disclosed |
| EP-1437362-A1 | Macrocyclic peptides inhibiting the hepatitis C virus ns3 protease | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2004-07-14 | — | — | EP | disclosed |
| US-20040002448-A1 | Macrocyclic peptides active against the hepatitis C virus | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2004-01-01 | — | — | US | disclosed |
| US-6608027-B1 | Macrocyclic small peptides of low molecular weight that are inhibitory to NS3 protease of hepatitis C virus | BOEHRINGER INGELHEIM (CANADA) LTD (CA) | 2003-08-19 | — | — | US | disclosed |
| EP-1169339-A1 | MACROCYCLIC PEPTIDES INHIBITING THE HEPATITIS C VIRUS NS3 PROTEASE | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2002-01-09 | — | — | EP | disclosed |
| WO-2000059929-A1 | MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 2000-10-12 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040002448-A1 | Macrocyclic peptides active against the hepatitis C virus | VIP, FURIN, RNASE1 | S1PR1 3211/4885MGLL 1559/4885MAOB 4090/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.