Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 4/20 | 0.33 |
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | CA9 | Q16790 | 4/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.31 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18502989 | 1.00 | TSHR (0.42) | TSHRGABRR1LMNAHCAR2CA12 | |
| SCHEMBL6437107 | 1.00 | TSHR (0.42) | TSHRGABRR1LMNAHCAR2CA12 | |
| Hydrochloric Acid SCHEMBL19603131 | 0.98 | TSHR (0.40) | TSHRGABRR1LMNAHCAR2CA12 | |
| Hydrochloric Acid SCHEMBL19603119 | 0.98 | TSHR (0.40) | TSHRGABRR1LMNAHCAR2CA12 | |
| Hydrochloric Acid SCHEMBL19603120 | 0.98 | TSHR (0.40) | TSHRGABRR1LMNAHCAR2CA12 | |
| SCHEMBL21114362 | 0.79 | GABRR1 (0.39) | TSHRGABRR1CACNA2D1CACNB3CACNA1C | |
| SCHEMBL11227271 | 0.78 | TSHR (0.32) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL4044174 | 0.77 | TSHR (0.43) | TSHRLMNAHCAR2CA12CA1 | |
| SCHEMBL16314695 | 0.77 | — | — | |
| SCHEMBL1866475 | 0.77 | TSHR (0.43) | TSHRLMNAHCAR2CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180065999-A1 | ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2018-03-08 | — | — | US | disclosed |
| US-20180065999-A1 | ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2018-03-08 | — | — | US | disclosed |
| US-9822138-B2 | Antiviral beta-amino acid ester phosphodiamide compounds | MERCK SHARP & DOHME CORP. (US) | 2017-11-21 | — | — | US | disclosed |
| US-9822138-B2 | Antiviral beta-amino acid ester phosphodiamide compounds | MERCK SHARP & DOHME CORP. (US) | 2017-11-21 | — | — | US | disclosed |
| US-20170044192-A1 | ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2017-02-16 | — | — | US | disclosed |
| US-20170044192-A1 | ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2017-02-16 | — | — | 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 (2 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-20170044192-A1 | ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS | POLD1, PEPD, TYMP | TSHR 4790/4885GABRR1 3096/4885LMNA 3944/4885 |
| US-20180065999-A1 | ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS | POLD1, PEPD, TYMP | TSHR 4790/4885GABRR1 3096/4885LMNA 3944/4885 |
“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.