Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.80 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.80 |
| ▸ | ESR1 | P03372 | 4/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5028587 | 0.89 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Benzene SCHEMBL6890099 | 0.89 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL2085135 | 0.89 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL101 | 0.89 | TDP1 (1.00) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL6752655 | 0.87 | CYP3A4 (0.80) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL6543576 | 0.87 | CYP3A4 (0.80) | CYP3A4TDP1ESR1ESR2KDM4E | |
| Formaldehyde SCHEMBL10734165 | 0.87 | CYP3A4 (0.80) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL25384985 | 0.86 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL22558063 | 0.86 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2KDM4E | |
| SCHEMBL224846 | 0.86 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040181094-A1 | Transition metal oxo complexes as catalysts of synthetic processes involving alkyne reactants | REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE | 2004-09-16 | — | — | 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-20040181094-A1 | Transition metal oxo complexes as catalysts of synthetic processes involving alkyne reactants | POLR1G, PYM1, APEX1 | CYP3A4 269/4885TDP1 3098/4885ESR1 2743/4885 |
“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.