Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 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 | |
|---|---|---|---|---|
| SCHEMBL20079481 | 0.82 | PSEN1 (0.32) | TSHRCA12CA1CA2MMP1 | |
| SCHEMBL13245284 | 0.82 | TAS1R3 (0.34) | TSHRCA12CA1CA2MMP1 | |
| SCHEMBL13245165 | 0.79 | MMP1 (0.45) | CA12CA1CA2MMP1MMP2 | |
| SCHEMBL3073891 | 0.78 | CA12 (0.48) | TSHRCA12CA1CA2MMP1 | |
| SCHEMBL13245162 | 0.77 | TSHR (0.40) | TSHRPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL152945 | 0.74 | SIGMAR1 (0.40) | TSHRCA12CA1CA2MMP1 | |
| SCHEMBL12213909 | 0.74 | POLB (0.46) | TSHRCA12CA1CA2MMP1 | |
| SCHEMBL351018 | 0.73 | KDM5B (0.37) | TSHRALDH1A1 | |
| SCHEMBL7702290 | 0.71 | TDP1 (0.30) | ALDH1A1TDP1 | |
| SCHEMBL18479763 | 0.71 | CYP1A2 (0.36) | TSHRCA12CA1CA2MMP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230008495-A1 | NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 | UNIV PARIS (FR) | 2023-01-12 | — | — | US | disclosed |
| US-20200317647-A1 | NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 | UNIVERSITÉ PARIS CITÉ (FR) | 2020-10-08 | — | — | US | disclosed |
| US-9951058-B2 | Compound, pharmaceutically acceptable salt or optical isomer thereof, method for preparing the same, and pharmaceutical composition for prevention or treatment of viral diseases containing same as active ingredient | KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R & D (BE) | 2018-04-24 | — | — | US | disclosed |
| US-9790197-B2 | Compound, pharmaceutically acceptable salt or optical isomer thereof, method for preparing the same, and pharmaceutical composition for prevention or treatment of viral diseases containing same as active ingredient | KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R & D (BE) | 2017-10-17 | — | — | US | disclosed |
| US-8426359-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-23 | — | — | US | disclosed |
| US-20100173851-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2010-07-08 | — | — | US | disclosed |
| US-20090291902-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-26 | — | — | US | disclosed |
| US-20070292933-A1 | Inhibitors of serine proteases, particular HCV NS3-NS4A protease | PITLIK JANOS | 2007-12-20 | — | — | US | disclosed |
| US-7273885-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-25 | — | — | 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 (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-20070292933-A1 | Inhibitors of serine proteases, particular HCV NS3-NS4A protease | SERPINB1, PRSS1, SPINT2 | TSHR 4815/4885CA12 3918/4885CA1 3832/4885 |
| US-20230008495-A1 | NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 | CASP2, CASP1, CASP5 | TSHR 4727/4885CA12 1869/4885CA1 375/4885 |
| US-20100173851-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | SERPINB1, PRSS1, SPINT2 | TSHR 4812/4885CA12 3937/4885CA1 3859/4885 |
| US-20090291902-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | PRSS1, SERPINB1, SPINT2 | TSHR 4813/4885CA12 3844/4885CA1 3917/4885 |
| US-20200317647-A1 | NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 | CASP2, CASP1, CASP5 | TSHR 4727/4885CA12 1869/4885CA1 375/4885 |
“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.