Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28811 | 0.82 | — | — | |
| SCHEMBL506408 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL4776707 | 0.80 | — | — | |
| Phenol SCHEMBL27468064 | 0.72 | TDP1 (0.44) | PDPK1CA12CA1CA2GLA | |
| SCHEMBL949287 | 0.69 | PDPK1 (0.45) | RIOK2PDPK1TDP1NPC1RAB9A | |
| SCHEMBL2283315 | 0.68 | RIOK2 (0.50) | RIOK2PDPK1NPC1RAB9AKMT2A | |
| 2-Thiophenenecarboxaldehyde SCHEMBL29079471 | 0.68 | ABCG2 (0.49) | CA12CA1CA2GLACA3 | |
| SCHEMBL2283312 | 0.68 | RIOK2 (0.50) | RIOK2PDPK1NPC1RAB9AKMT2A | |
| SCHEMBL10552731 | 0.67 | — | — | |
| Phenol SCHEMBL662758 | 0.66 | TDP1 (0.69) | CA12CA1CA2GLACA3 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7642324-B2 | Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts | SYMYX SOLUTIONS, INC. (US) | 2010-01-05 | — | — | US | disclosed |
| US-7642216-B2 | Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts | SYMYX SOLUTIONS, INC. (US) | 2010-01-05 | — | — | US | disclosed |
| US-20090143222-A1 | METHODS OF USING HETEROCYCLE-AMINE LIGANDS, COMPOSITIONS, COMPLEXES, AND CATALYSTS | SYMYX TECHNOLOGIES, INC. (US) | 2009-06-04 | — | — | US | disclosed |
| US-20090131619-A1 | METHODS OF USING HETEROCYCLE-AMINE LIGANDS, COMPOSITIONS, COMPLEXES, AND CATALYSTS | SYMYX TECHNOLOGIES, INC. (US) | 2009-05-21 | — | — | US | disclosed |
| US-7387980-B2 | Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts | SYMYX TECHNOLOGIES, INC. | 2008-06-17 | — | — | US | disclosed |
| US-7256296-B2 | Heterocycle-amine ligands, compositions, complexes, and catalysts | SYMYX TECHNOLOGIES, INC. (US) | 2007-08-14 | — | — | US | disclosed |
| EP-1794196-A2 | HETEROCYCLE-AMINE LIGANDS, COMPOSITIONS, COMPLEXES, AND CATALYSTS, AND METHODS OF MAKING AND USING THE SAME | Symyx Technologies, Inc. (US) | 2007-06-13 | — | — | EP | disclosed |
| US-20060094839-A1 | Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts | SYMYX TECHNOLOGIES, INC. (US) | 2006-05-04 | — | — | US | disclosed |
| US-20060094867-A1 | Heterocycle-amine ligands, compositions, complexes, and catalysts | SYMYX TECHNOLOGIES, INC. (US) | 2006-05-04 | — | — | US | disclosed |
| WO-2006036748-A2 | HETEROCYCLE-AMINE LIGANDS, COMPOSITIONS, COMPLEXES, AND CATALYSTS, AND METHODS OF MAKING AND USING THE SAME | SYMYX TECHNOLOGIES, INC. (US) | 2006-04-06 | — | — | 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 (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-20060094867-A1 | Heterocycle-amine ligands, compositions, complexes, and catalysts | PCNA, MYB, PNMT | RIOK2 3055/4885PDPK1 1060/4885CA12 4548/4885 |
| US-20060094839-A1 | Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts | PCNA, PPOX, ODC1 | RIOK2 3205/4885PDPK1 1300/4885CA12 4026/4885 |
“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.