Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 6/20 | 0.40 |
| ▸ | CA9 | Q16790 | 5/20 | 0.40 |
| ▸ | CA1 | P00915 | 5/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA6 | P23280 | 3/20 | 0.40 |
| ▸ | CA5A | P35218 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10664550 | 0.85 | ACLY (0.44) | CA2CA9CA1CA12CA6 | |
| SCHEMBL464729 | 0.84 | PTGS1 (0.43) | PKMTSHREPHB4CA2CA9 | |
| SCHEMBL464723 | 0.83 | MGAM (0.37) | PKMEPHB4CA2CA9CA1 | |
| SCHEMBL464724 | 0.83 | ALDH1A1 (0.39) | EPHB4CA2CA9CA1CA12 | |
| SCHEMBL464740 | 0.82 | PTGS2 (0.36) | TSHREPHB4CA2CA9CA12 | |
| SCHEMBL464779 | 0.81 | GSK3B (0.42) | ABCG2PKMTSHRPTGS1PTGS2 | |
| SCHEMBL4749803 | 0.81 | MAOB (0.43) | ABCG2PKMTSHRMAOBCHRM1 | |
| SCHEMBL464814 | 0.80 | CA12 (0.40) | TSHREPHB4CA2CA9CA1 | |
| SCHEMBL464731 | 0.79 | MGAM (0.37) | EPHB4PTGS1PTGS2MAOBCHRM1 | |
| Hydrochloric Acid SCHEMBL5308121 | 0.73 | CA2 (0.36) | ABCG2PKMTSHRCA2CA9 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8455497-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-04 | — | — | US | disclosed |
| EP-1686113-B1 | Inhibitors of aspartyl protease | VERTEX PHARMA (US) | 2011-11-23 | — | — | EP | disclosed |
| US-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2009-11-05 | — | — | US | disclosed |
| EP-1686113-A1 | Inhibitors of aspartyl protease | Vertex Pharmaceuticals Incorporated (US) | 2006-08-02 | — | — | EP | disclosed |
| EP-1194404-B1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMA (US) | 2006-05-03 | — | — | EP | disclosed |
| US-6878728-B1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICAL INCORPORATED (US) | 2005-04-12 | — | — | US | disclosed |
| US-20040122000-A1 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS INCORPORATED. | 2004-06-24 | — | — | US | disclosed |
| EP-1194404-A1 | INHIBITORS OF ASPARTYL PROTEASE | Vertex Pharmaceuticals Incorporated (US) | 2002-04-10 | — | — | EP | disclosed |
| WO-2000076961-A1 | INHIBITORS OF ASPARTYL PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2000-12-21 | — | — | WO | disclosed |
| US-4746358-A | PLANT GROWTH REGULATORS, HERBICIDES; N-TRIAZINYL-AMINOCARBONYL -1,4-BENZODIOXANESULFONAMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-05-24 | — | — | US | disclosed |
| US-4659368-A | HERBICIDES; PLANT GROWTH REGULATORS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1987-04-21 | — | — | US | disclosed |
| EP-0099339-B1 | CONDENSED N-PHENYLSULFONYL-N'-PYRIMIDINYL AND TRIAZINYL UREA | CIBA-GEIGY AG (CH) | 1987-01-07 | — | — | EP | disclosed |
| US-4634465-A | PRE- AND POSTEMERGENCE HERBICIDES | CIBA-GEIGY CORPORATION (US) | 1987-01-06 | — | — | US | disclosed |
| US-4595407-A | Triazinyl-amino-carbonyl-1,3-benzohetero- or -1,4-benzohetero-sulfonamides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1986-06-17 | — | — | US | disclosed |
| US-4502882-A | HERBICIDES, PLANT GROWTH REGULATORS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-03-05 | — | — | US | disclosed |
| EP-0099339-A2 | Condensed N-phenylsulfonyl-N'-pyrimidinyl and triazinyl urea | CIBA-GEIGY AG (CH) | 1984-01-25 | — | — | EP | disclosed |
| EP-0082681-A2 | Herbicidal sulfonamides | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1983-06-29 | — | — | EP | 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-20040122000-A1 | Inhibitors of aspartyl protease | SPINT2, DNPEP, PRSS1 | ABCG2 328/4885PKM 2752/4885TSHR 4851/4885 |
| US-20090274650-A1 | INHIBITORS OF ASPARTYL PROTEASE | SPINT2, DNPEP, PRSS1 | ABCG2 328/4885PKM 2752/4885TSHR 4851/4885 |
“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.