Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22645629 | 0.88 | KCNH2 (0.49) | CYP2D6KCNH2ADORA2AADORA1CYP3A4 | |
| SCHEMBL12855189 | 0.84 | CD38 (0.48) | CYP2D6KCNH2CYP3A4NR1H2NR1H3 | |
| SCHEMBL10311167 | 0.84 | KCNH2 (0.46) | CYP2D6KCNH2ADORA2AADORA1CYP3A4 | |
| SCHEMBL7219634 | 0.81 | CYP2D6 (0.43) | CYP2D6KCNH2ADORA2AADORA1CYP3A4 | |
| SCHEMBL7225209 | 0.79 | KCNH2 (0.43) | CYP2D6KCNH2ADORA2AADORA1CYP3A4 | |
| SCHEMBL1258312 | 0.79 | KCNH2 (0.47) | CYP2D6KCNH2ADORA2AADORA1CYP3A4 | |
| SCHEMBL2790280 | 0.79 | ALDH1A1 (0.48) | CYP2D6KCNH2ADORA2AADORA1CYP3A4 | |
| SCHEMBL11893019 | 0.79 | TLR7 (0.55) | ADORA2AADORA1ALDH1A1MAPTKMT2A | |
| SCHEMBL2608426 | 0.78 | CYP2D6 (0.46) | CYP2D6KCNH2ADORA2AADORA1CYP3A4 | |
| SCHEMBL2790491 | 0.78 | KCNH2 (0.46) | CYP2D6KCNH2ADORA2AADORA1CYP3A4 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012107532-A1 | 4-AMINOALCOHOLQUINOLINE DERIVATIVES, ENANTIOSELECTIVE SYNTHESIS METHODS AND THE USE THEREOF | Université de Picardie Jules Verne (FR) | 2012-08-16 | — | — | WO | claimed |
| US-8163693-B2 | Urea-containing peptides as inhibitors of viral replication | ACHILLION PHARMACEUTICALS, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-20110070168-A1 | MACROCYCLIC PEPTIDES AS INHIBITORS OF VIRAL REPLICATION | ACHILLION PHARMACEUTICALS, INC. (US) | 2011-03-24 | — | — | US | disclosed |
| US-7906619-B2 | 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication | ACHILLION PHARMACEUTICALS, INC. (US) | 2011-03-15 | — | — | US | disclosed |
| US-20100216725-A1 | 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION | ACHILLION PHARMACEUTICALS, INC. (US) | 2010-08-26 | — | — | US | disclosed |
| US-20100197657-A1 | 2-ARYL OR HETEROARYL INDOLE DERIVATIVES | CHANG RONALD K | 2010-08-05 | — | — | US | disclosed |
| US-7745444-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-29 | — | — | US | disclosed |
| US-20090082261-A1 | UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION | ACHILLION PHARMACEUTICALS, INC. (US) | 2009-03-26 | — | — | US | disclosed |
| US-20090048297-A1 | 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION | ACHILLION PHARMACEUTICALS (US) | 2009-02-19 | — | — | US | disclosed |
| US-20080311079-A1 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-12-18 | — | — | US | disclosed |
| US-7378422-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-05-27 | — | — | US | 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 (6 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-20110070168-A1 | MACROCYCLIC PEPTIDES AS INHIBITORS OF VIRAL REPLICATION | VIP, ZC3HAV1, ZC3HAV1L | CYP2D6 1314/4885KCNH2 2022/4885ADORA2A 4149/4885 |
| US-20100197657-A1 | 2-ARYL OR HETEROARYL INDOLE DERIVATIVES | ASIC1, ASIC3, TRPV1 | CYP2D6 2014/4885KCNH2 116/4885ADORA2A 612/4885 |
| US-20090082261-A1 | UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION | VIP, SLC14A1, RPL35 | CYP2D6 4255/4885KCNH2 3270/4885ADORA2A 4524/4885 |
| US-20090048297-A1 | 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION | VIP, ZC3HAV1, CCL5 | CYP2D6 1609/4885KCNH2 2243/4885ADORA2A 2990/4885 |
| US-20080311079-A1 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | SERPINB1, PRSS1, SPINT2 | CYP2D6 1127/4885KCNH2 4716/4885ADORA2A 3751/4885 |
| US-20100216725-A1 | 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION | ZC3HAV1, VIP, O60361 | CYP2D6 1625/4885KCNH2 1739/4885ADORA2A 2549/4885 |
“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.