Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9955889 | 0.99 | ESR1 (0.40) | ESR1S1PR1S1PR3PTGS1PTGS2 | |
| SCHEMBL9956414 | 0.95 | ESR1 (0.46) | ESR1S1PR1S1PR3PTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL9955635 | 0.94 | ESR1 (0.45) | ESR1S1PR1S1PR3PTGS1PTGS2 | |
| SCHEMBL10169722 | 0.91 | ESR1 (0.49) | ESR1 | |
| Hydrochloric Acid SCHEMBL9959745 | 0.91 | ESR1 (0.49) | ESR1 | |
| SCHEMBL10169715 | 0.87 | HSP90AA1 (0.39) | ESR1S1PR1S1PR3PTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL9955834 | 0.86 | HSP90AA1 (0.39) | ESR1S1PR1S1PR3PTGS1PTGS2 | |
| SCHEMBL10169719 | 0.86 | ESR1 (0.40) | ESR1S1PR1S1PR3PTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL9957111 | 0.85 | ESR1 (0.40) | ESR1S1PR1S1PR3PTGS1PTGS2 | |
| SCHEMBL10169917 | 0.85 | ESR1 (0.44) | ESR1PTGS1PTGS2ALOX5ALOX5AP |
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-9540361-B2 | N-substituted azetidine derivatives | MERCK SHARP & DOHME B.V. (NL) | 2017-01-10 | — | — | US | disclosed |
| US-9540361-B2 | N-substituted azetidine derivatives | MERCK SHARP & DOHME B.V. (NL) | 2017-01-10 | — | — | US | disclosed |
| US-20160130262-A1 | N-SUBSTITUTED AZETIDINE DERIVATIVES | MERCK SHARP & DOHME B.V. (NL) | 2016-05-12 | — | — | US | disclosed |
| US-20160130262-A1 | N-SUBSTITUTED AZETIDINE DERIVATIVES | MERCK SHARP & DOHME B.V. (NL) | 2016-05-12 | — | — | US | disclosed |
| WO-2012084711-A1 | N-SUBSTITUTED AZETIDINE DERIVATIVES | MSD OSS B.V. (NL) | 2012-06-28 | — | — | 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-20160130262-A1 | N-SUBSTITUTED AZETIDINE DERIVATIVES | ESR2, ESR1, GPER1 | ESR1 2/4885S1PR1 2939/4885S1PR3 3086/4885 |
“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.