Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.30 |
| ▸ | RARA | P10276 | 1/20 | 0.30 |
| ▸ | RARB | P10826 | 1/20 | 0.30 |
| ▸ | RARG | P13631 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | RXRB | P28702 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | RXRG | P48443 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL39015 | 0.90 | ALDH1A1 (0.35) | ALDH1A1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL29421164 | 0.90 | ALDH1A1 (0.35) | ALDH1A1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL5455460 | 0.89 | ALDH1A1 (0.34) | ALDH1A1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL8913292 | 0.83 | CYP1A2 (0.31) | ALDH1A1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL460101 | 0.79 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL2264850 | 0.78 | SMN1; SMN2 (0.38) | ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL8919526 | 0.78 | RXRA (0.31) | ALDH1A1RARARARBRARGRXRA | |
| SCHEMBL7643760 | 0.76 | CYP2C9 (0.32) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL23777298 | 0.73 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL603636 | 0.73 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP3A4CYP2C9TSHR |
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-20070256352-A1 | Substituted hexahydro-1,4-diazepin-5-ones and compositions stabilized therewith | WOOD MERVIN G | 2007-11-08 | — | — | 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-20070256352-A1 | Substituted hexahydro-1,4-diazepin-5-ones and compositions stabilized therewith | CRY1, GPX4, CAND1 | ALDH1A1 195/4885CYP1A2 1087/4885CYP3A4 469/4885 |
“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.