Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | ESR1 | P03372 | 5/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | KDR | P35968 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | STS | P08842 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16810355 | 0.87 | ESR1 (0.56) | ALDH1A1ESR1TSHRCHRM1SLC6A2 | |
| SCHEMBL20272026 | 0.87 | ESR1 (0.56) | ALDH1A1ESR1TSHRCHRM1SLC6A2 | |
| SCHEMBL29823214 | 0.86 | CA12 (0.61) | ALDH1A1ESR1KDM4EPOLBLMNA | |
| SCHEMBL1147208 | 0.86 | CA12 (0.61) | ALDH1A1ESR1KDM4EPOLBLMNA | |
| SCHEMBL27825146 | 0.85 | ALDH1A1 (0.54) | ALDH1A1ESR1TSHRCHRM1SLC6A2 | |
| SCHEMBL20267408 | 0.84 | KDM4E (0.71) | ALDH1A1ESR1TSHRCHRM1SLC6A2 | |
| SCHEMBL20267193 | 0.84 | KDM4E (0.67) | ALDH1A1ESR1TSHRCHRM1SLC6A2 | |
| SCHEMBL20267427 | 0.83 | ALDH1A1 (0.51) | ALDH1A1ESR1TSHRCHRM1SLC6A2 | |
| SCHEMBL5950919 | 0.82 | CES2 (0.46) | ALDH1A1ESR1TSHRCHRM1SLC6A2 | |
| SCHEMBL49950 | 0.81 | ALDH1A1 (0.84) | ALDH1A1ESR1TSHRCHRM1SLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090203577-A1 | Azepinoindole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2009-08-13 | — | — | US | claimed |
| US-20090203577-A1 | Azepinoindole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2009-08-13 | — | — | 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-20090203577-A1 | Azepinoindole Derivatives As Pharmaceutical Agents | NR1H4, NR1I2, GPBAR1 | ALDH1A1 622/4885ESR1 292/4885TSHR 280/4885 |
“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.