Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.73 |
| ▸ | HTR2A | P28223 | 4/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.59 |
| ▸ | SCN1A | P35498 | 1/20 | 0.59 |
| ▸ | HTR2B | P41595 | 1/20 | 0.59 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.59 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.59 |
| ▸ | HTR1A | P08908 | 3/20 | 0.58 |
| ▸ | DRD2 | P14416 | 3/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | HRH1 | P35367 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HRH2 | P25021 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29640958 | 0.93 | HRH3 (0.63) | HRH3HTR2AKCNH2MAPK1ALDH1A1 | |
| SCHEMBL329891 | 0.93 | HRH3 (0.63) | HRH3HTR2AKCNH2MAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL31014160 | 0.92 | HRH3 (0.62) | HRH3HTR2AKCNH2MAPK1ALDH1A1 | |
| SCHEMBL12853690 | 0.81 | HRH3 (0.65) | HRH3HTR2AKCNH2MAPK1ALDH1A1 | |
| SCHEMBL19339145 | 0.80 | HRH3 (0.64) | HRH3HTR2AKCNH2MAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL31014123 | 0.78 | MEN1 (0.57) | HRH3HTR2AKCNH2MAPK1ALDH1A1 | |
| SCHEMBL14232256 | 0.78 | SMN1; SMN2 (0.49) | HRH3MAPK1ALDH1A1USP2KDM4E | |
| SCHEMBL4727335 | 0.77 | DRD2 (0.73) | HRH3HTR2AKCNH2HTR1ADRD2 | |
| SCHEMBL14287578 | 0.76 | HRH3 (1.00) | HRH3HRH1 | |
| SCHEMBL14287568 | 0.76 | HRH3 (1.00) | HRH3HRH1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9914719-B2 | Hydroxybenzamide derivatives and their use as inhibitors of HSP90 | ASTEX THERAPEUTICS LTD. (GB) | 2018-03-13 | — | — | US | disclosed |
| US-9730912-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2017-08-15 | — | — | US | disclosed |
| EP-1680137-B1 | Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication | HOFFMANN LA ROCHE (CH) | 2012-11-21 | — | — | EP | disclosed |
| EP-2407470-A2 | Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication | F. Hoffmann-La Roche Ltd. (CH) | 2012-01-18 | — | — | EP | disclosed |
| US-20090286843-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | HOFFMANN-LA ROCHE INC. | 2009-11-19 | — | — | US | disclosed |
| US-20090111982-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | HOFFMANN-LA ROCHE INC. | 2009-04-30 | — | — | US | disclosed |
| US-20090111969-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | HOFFMANN-LA ROCHE INC. | 2009-04-30 | — | — | US | disclosed |
| US-20090105471-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | HOFFMANN-LA ROCHE INC. | 2009-04-23 | — | — | US | disclosed |
| US-7491794-B2 | Macrocyclic compounds as inhibitors of viral replication | INTERMUNE, INC. (US) | 2009-02-17 | — | — | US | disclosed |
| WO-2008044027-A2 | PHARMACEUTICAL COMPOUNDS HAVING HSP90 INHIBITORY OR MODULATING ACTIVITY | ASTEX THERAPEUTICS LIMITED (GB) | 2008-04-17 | — | — | WO | disclosed |
| EP-1680137-A2 | MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION | Intermune, Inc. (US) | 2006-07-19 | — | — | EP | disclosed |
| US-20050267018-A1 | Macrocyclic compounds as inhibitors of viral replication | HOFFMANN-LA ROCHE INC. | 2005-12-01 | — | — | US | disclosed |
| WO-2005037214-A2 | MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION | INTERMUNE, INC. (US) | 2005-04-28 | — | — | 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 (5 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-20090111982-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | EIF2AK2, HAVCR2, ZC3HAV1 | HRH3 4394/4885HTR2A 4550/4885KCNH2 2713/4885 |
| US-20090286843-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | EIF2AK2, HAVCR2, ZC3HAV1 | HRH3 4394/4885HTR2A 4550/4885KCNH2 2713/4885 |
| US-20090111969-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | EIF2AK2, HAVCR2, ZC3HAV1 | HRH3 4394/4885HTR2A 4550/4885KCNH2 2713/4885 |
| US-20050267018-A1 | Macrocyclic compounds as inhibitors of viral replication | EIF2AK2, HAVCR2, ZC3HAV1 | HRH3 4394/4885HTR2A 4550/4885KCNH2 2713/4885 |
| US-20090105471-A1 | MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION | EIF2AK2, HAVCR2, ZC3HAV1 | HRH3 4394/4885HTR2A 4550/4885KCNH2 2713/4885 |
“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.