Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11728636 | 0.86 | ESR1 (0.42) | ESR1CA1CA2CA12CA4 | |
| SCHEMBL11674819 | 0.82 | TSHR (0.41) | ESR1CA1CA2CA12CA4 | |
| SCHEMBL12046938 | 0.77 | ACHE (0.46) | CRHR1ALDH1A1HPGDPOLBMEN1 | |
| SCHEMBL11133752 | 0.76 | CA1 (0.50) | ESR1CA1CA2CA12CA4 | |
| SCHEMBL11206279 | 0.76 | CA1 (0.50) | ESR1CA1CA2CA12CA4 | |
| SCHEMBL20467009 | 0.75 | CYP3A4 (0.41) | ESR1CRHR1ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL11885433 | 0.75 | CA1 (0.48) | ESR1CA1CA2CA12CA4 | |
| SCHEMBL10428522 | 0.75 | CA1 (0.48) | ESR1CA1CA2CA12CA4 | |
| SCHEMBL27957662 | 0.75 | ESR1 (0.51) | ESR1CA1CA2CA12CA4 | |
| SCHEMBL1256212 | 0.73 | GABRA1 (0.39) | CA1CA2HPGDSLC6A2POLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230183197-A1 | INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT | Neophore Limited (GB) | 2023-06-15 | — | — | US | disclosed |
| EP-0672032-B1 | NOVEL PHENYLETHYL AND PHENYLPROPYLAMINES | ASTRA AB (SE) | 1998-01-07 | — | — | EP | disclosed |
| US-5693630-A | FOR TREATMENT OF PSYCHIATRIC DISORDERS | ASTRA AKTIEBOLAG (SE) | 1997-12-02 | — | — | US | disclosed |
| EP-0672032-A1 | NOVEL PHENYLETHYL AND PHENYLPROPYLAMINES | Astra Aktiebolag (SE) | 1995-09-20 | — | — | EP | disclosed |
| WO-1995009835-A1 | NOVEL PHENYLETHYL AND PHENYLPROPYLAMINES | ASTRA AKTIEBOLAG (SE) | 1995-04-13 | — | — | 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-20230183197-A1 | INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT | MSH2, PMS2, MSH6 | ESR1 800/4885CA1 4527/4885CA2 3757/4885 |
“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.