Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 3/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19391886 | 0.94 | ALDH1A1 (0.49) | ALDH1A1NPSR1CES2CES1PTGS2 | |
| SCHEMBL12900930 | 0.88 | ALDH1A1 (0.41) | ALDH1A1NPSR1CES2CES1PTGS2 | |
| SCHEMBL12900928 | 0.88 | CES2 (0.44) | ALDH1A1NPSR1CES2CES1PTGS2 | |
| SCHEMBL23837678 | 0.86 | CES2 (0.38) | ALDH1A1NPSR1CES2CES1PTGS2 | |
| SCHEMBL1270960 | 0.80 | LMNA (0.49) | ALDH1A1POLB | |
| SCHEMBL19391813 | 0.79 | SMN1; SMN2 (0.37) | ALDH1A1NPSR1 | |
| SCHEMBL19677301 | 0.78 | HDAC3 (0.46) | ALDH1A1NPSR1CES2CES1 | |
| SCHEMBL6057406 | 0.78 | CES2 (0.51) | ALDH1A1NPSR1CES2CES1PTGS2 | |
| SCHEMBL12900922 | 0.76 | ALDH1A1 (0.42) | ALDH1A1NPSR1CES2CES1PTGS2 | |
| SCHEMBL10797615 | 0.76 | CES2 (0.53) | ALDH1A1NPSR1CES2CES1PTGS2 |
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-20140142319-A1 | ORGANOACTINIDE-, ORGANOLANTHANIDE-, AND ORGANOGROUP-4-MEDIATED HYDROTHIOLATION OF TERMINAL ALKYNES WITH ALIPHATIC, AROMATIC AND BENZYLIC THIOLS | NORTHWESTERN UNIVERSITY (US) | 2014-05-22 | — | — | US | claimed |
| US-20110040098-A1 | Organoactinide-, Organolanthanide-, and OrganoGroup-4-Mediated Hydrothiolation of Terminal Alkynes with Aliphatic, Aromatic and Benzylic Thiols | NATIONAL SCIENCE FOUNDATION | 2011-02-17 | — | — | US | claimed |
| US-20140142319-A1 | ORGANOACTINIDE-, ORGANOLANTHANIDE-, AND ORGANOGROUP-4-MEDIATED HYDROTHIOLATION OF TERMINAL ALKYNES WITH ALIPHATIC, AROMATIC AND BENZYLIC THIOLS | NORTHWESTERN UNIVERSITY (US) | 2014-05-22 | — | — | US | disclosed |
| US-20140142319-A1 | ORGANOACTINIDE-, ORGANOLANTHANIDE-, AND ORGANOGROUP-4-MEDIATED HYDROTHIOLATION OF TERMINAL ALKYNES WITH ALIPHATIC, AROMATIC AND BENZYLIC THIOLS | NORTHWESTERN UNIVERSITY (US) | 2014-05-22 | — | — | US | disclosed |
| US-20140142319-A1 | ORGANOACTINIDE-, ORGANOLANTHANIDE-, AND ORGANOGROUP-4-MEDIATED HYDROTHIOLATION OF TERMINAL ALKYNES WITH ALIPHATIC, AROMATIC AND BENZYLIC THIOLS | NORTHWESTERN UNIVERSITY (US) | 2014-05-22 | — | — | US | disclosed |
| US-8609902-B2 | Organoactinide-, organolanthanide-, and organogroup-4-mediated hydrothiolation of terminal alkynes with aliphatic, aromatic and benzylic thiols | NORTHWESTERN UNIVERSITY (US) | 2013-12-17 | — | — | US | disclosed |
| US-20110040098-A1 | Organoactinide-, Organolanthanide-, and OrganoGroup-4-Mediated Hydrothiolation of Terminal Alkynes with Aliphatic, Aromatic and Benzylic Thiols | NATIONAL SCIENCE FOUNDATION | 2011-02-17 | — | — | US | disclosed |
| US-20110040098-A1 | Organoactinide-, Organolanthanide-, and OrganoGroup-4-Mediated Hydrothiolation of Terminal Alkynes with Aliphatic, Aromatic and Benzylic Thiols | NATIONAL SCIENCE FOUNDATION | 2011-02-17 | — | — | US | disclosed |
| US-20110040098-A1 | Organoactinide-, Organolanthanide-, and OrganoGroup-4-Mediated Hydrothiolation of Terminal Alkynes with Aliphatic, Aromatic and Benzylic Thiols | NATIONAL SCIENCE FOUNDATION | 2011-02-17 | — | — | 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-20140142319-A1 | ORGANOACTINIDE-, ORGANOLANTHANIDE-, AND ORGANOGROUP-4-MEDIATED HYDROTHIOLATION OF TERMINAL ALKYNES WITH ALIPHATIC, AROMATIC AND BENZYLIC THIOLS | OR10J3, HCN4, HVCN1 | ALDH1A1 283/4885NPSR1 3210/4885CES2 1994/4885 |
| US-20110040098-A1 | Organoactinide-, Organolanthanide-, and OrganoGroup-4-Mediated Hydrothiolation of Terminal Alkynes with Aliphatic, Aromatic and Benzylic Thiols | OR10J3, HCN4, HVCN1 | ALDH1A1 283/4885NPSR1 3210/4885CES2 1994/4885 |
“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.