Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 2/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.32 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17704164 | 0.92 | HTR3E (0.33) | F2F10ALDH1A1KDM4ENPC1 | |
| SCHEMBL15096209 | 0.92 | CHEK2 (0.39) | CHEK2PIM1P2RX3KDRALDH1A1 | |
| SCHEMBL15093389 | 0.82 | GRIK1 (0.35) | MAPT | |
| SCHEMBL14979944 | 0.78 | P2RX3 (0.40) | P2RX3 | |
| SCHEMBL21508756 | 0.78 | P2RY12 (0.36) | ALDH1A1 | |
| SCHEMBL16106959 | 0.77 | HTR3E (0.36) | ALDH1A1KDM4ERAB9AHTR3EHTR3B | |
| SCHEMBL14969332 | 0.77 | HTR3E (0.34) | ALDH1A1KDM4ENPC1RAB9AHTR3E | |
| SCHEMBL21508741 | 0.76 | HTR3E (0.32) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL16077806 | 0.75 | PIM1 (0.39) | CHEK2PIM1P2RX3KDRALDH1A1 | |
| SCHEMBL1072609 | 0.74 | CHEK2 (0.42) | CHEK2PIM1P2RX3KDRALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2780026-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2019-10-23 | — | — | EP | disclosed |
| US-9328138-B2 | HCV NS3 protease inhibitors | MSD ITALIA S.R.L. (IT) | 2016-05-03 | — | — | US | disclosed |
| US-9328138-B2 | HCV NS3 protease inhibitors | MSD ITALIA S.R.L. (IT) | 2016-05-03 | — | — | US | disclosed |
| US-20140296136-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-10-02 | — | — | US | disclosed |
| US-20140296136-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-10-02 | — | — | US | disclosed |
| US-20140296136-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-10-02 | — | — | US | disclosed |
| WO-2013074386-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | 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-20140296136-A1 | HCV NS3 PROTEASE INHIBITORS | HAVCR2, GTF3C3, CTSC | CHEK2 4360/4885PIM1 2404/4885P2RX3 3516/4885 |
“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.