Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.47 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | EGLN2 | Q96KS0 | 7/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8411017 | 0.74 | ALDH1A1 (0.49) | ALDH1A1KDM4ERCE1GAAGLA | |
| SCHEMBL1650004 | 0.74 | ALDH1A1 (0.49) | ALDH1A1KDM4ERCE1GAAGLA | |
| SCHEMBL1332491 | 0.74 | ALDH1A1 (0.49) | ALDH1A1KDM4ERCE1GAAGLA | |
| SCHEMBL7899954 | 0.74 | ALDH1A1 (0.52) | ALDH1A1KDM4ERCE1GAAGLA | |
| SCHEMBL22911107 | 0.74 | ALDH1A1 (0.47) | ALDH1A1KDM4ERCE1GAAGLA | |
| Hydrochloric Acid SCHEMBL31049672 | 0.72 | ALDH1A1 (0.47) | ALDH1A1KDM4ERCE1GAAGLA | |
| SCHEMBL20485003 | 0.69 | SMN1; SMN2 (0.46) | ALDH1A1KDM4ERCE1GAAGLA | |
| SCHEMBL1537948 | 0.69 | ALDH1A1 (0.45) | ALDH1A1KDM4ERCE1GAAGLA | |
| SCHEMBL6370757 | 0.69 | ALDH1A1 (0.45) | ALDH1A1KDM4ERCE1GAAGLA | |
| SCHEMBL5617361 | 0.69 | ALDH1A1 (0.47) | ALDH1A1KDM4ERCE1GAAGLA |
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-10941128-B2 | Thymoquinone derivatives for treatment of cancer | UNITED ARAB EMIRATES UNIVERSITY (AE) | 2021-03-09 | — | — | US | disclosed |
| US-20200031788-A1 | Thymoquinone Derivatives for Treatment of Cancer | UNITED ARAB EMIRATES UNIVERSITY (AE) | 2020-01-30 | — | — | 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 (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-10941128-B2 | Thymoquinone derivatives for treatment of cancer | TYMS, TYMP, NQO1 | ALDH1A1 324/4885KDM4E 3647/4885RCE1 618/4885 |
| US-20200031788-A1 | Thymoquinone Derivatives for Treatment of Cancer | TYMS, TYMP, NQO1 | ALDH1A1 324/4885KDM4E 3647/4885RCE1 618/4885 |
“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.