Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 4/20 | 0.37 |
| ▸ | RXRA | P19793 | 3/20 | 0.37 |
| ▸ | RXRG | P48443 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28521706 | 1.00 | CYP3A4 (0.52) | CYP3A4TDP1ESR1ESR2GABRA1 | |
| SCHEMBL1987093 | 0.83 | GABRA1 (0.39) | CYP3A4TDP1GABRA1GABRB2RXRB | |
| SCHEMBL16978956 | 0.82 | TDP1 (0.57) | CYP3A4TDP1ESR1ESR2NPC1 | |
| SCHEMBL12090539 | 0.82 | TDP1 (0.57) | CYP3A4TDP1ESR1ESR2NPC1 | |
| Hydrochloric Acid SCHEMBL2031211 | 0.79 | GABRA1 (0.37) | CYP3A4GABRA1GABRB2RXRBRXRA | |
| Hydrochloric Acid SCHEMBL2031214 | 0.79 | GABRA1 (0.37) | CYP3A4GABRA1GABRB2RXRBRXRA | |
| SCHEMBL16145497 | 0.78 | CYP3A4 (0.52) | CYP3A4TDP1ESR1ESR2RXRB | |
| SCHEMBL2031213 | 0.78 | GABRA1 (0.35) | CYP3A4GABRA1GABRB2RXRBRXRA | |
| SCHEMBL4462320 | 0.77 | HDAC8 (0.45) | CYP3A4TDP1ESR1ESR2RXRB | |
| SCHEMBL16054303 | 0.76 | TDP1 (0.71) | CYP3A4TDP1ESR1ESR2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080207855-A1 | Chemical resistant polymerization complex | ROHM AND HAAS COMPANY | 2008-08-28 | — | — | US | disclosed |
| US-7339075-B2 | Ligand synthesis | ROHM AND HAAS COMPANY (US) | 2008-03-04 | — | — | US | disclosed |
| US-20070287627-A1 | Single Site Palladium Catalyst Complexes | ROHM AND HAAS COMPANY (US) | 2007-12-13 | — | — | US | disclosed |
| US-20070287847-A1 | Ligand Synthesis | ROHM AND HAAS COMPANY (US) | 2007-12-13 | — | — | 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 (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-20070287847-A1 | Ligand Synthesis | CHD3, CRKL, CSK | CYP3A4 1485/4885TDP1 4729/4885ESR1 375/4885 |
“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.