Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.50 |
| ▸ | CXCR1 | P25024 | 3/20 | 0.50 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.50 |
| ▸ | ALB | P02768 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | RARB | P10826 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL132773 | 0.85 | ALDH1A1 (0.78) | ALDH1A1LMNACYP3A4 | |
| SCHEMBL13248903 | 0.83 | EPHX1 (0.56) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| SCHEMBL24983721 | 0.82 | ALDH1A1 (0.62) | ALDH1A1LMNACYP3A4 | |
| SCHEMBL24507793 | 0.82 | TSHR (0.50) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| SCHEMBL15911912 | 0.81 | ALDH1A1 (0.56) | ALDH1A1PTGS1ESR1CYP3A4 | |
| SCHEMBL873057 | 0.81 | ALDH1A1 (0.60) | ALDH1A1LMNACYP3A4 | |
| SCHEMBL16769628 | 0.80 | SLC7A5 (0.66) | ALDH1A1PTGS1PTGS2LMNANFKB1 | |
| SCHEMBL6848574 | 0.80 | ALDH1A1 (0.64) | ALDH1A1CYP3A4 | |
| SCHEMBL126492 | 0.79 | ALDH1A1 (0.69) | ALDH1A1LMNAESR1CYP3A4 | |
| SCHEMBL10604973 | 0.79 | ALDH1A1 (0.69) | ALDH1A1LMNAESR1CYP3A4 |
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-10858371-B2 | Anti-cancer agents and preparation thereof | PURDUE RESEARCH FOUNDATION (US) | 2020-12-08 | — | — | US | disclosed |
| US-20190218228-A1 | ANTI-CANCER AGENTS AND PREPARATION THEREOF | PURDUE RESEARCH FOUNDATION | 2019-07-18 | — | — | 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-10858371-B2 | Anti-cancer agents and preparation thereof | TP53, VHL, MCL1 | ALDH1A1 1043/4885PTGS1 1326/4885PTGS2 1716/4885 |
| US-20190218228-A1 | ANTI-CANCER AGENTS AND PREPARATION THEREOF | TP53, VHL, MCL1 | ALDH1A1 1043/4885PTGS1 1326/4885PTGS2 1716/4885 |
“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.