Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.43 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.43 |
| ▸ | PPID | Q08752 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.39 |
| ▸ | PTPRB | P23467 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | BRS3 | P32247 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PRKCG | P05129 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20347165 | 0.86 | ALDH1A1 (0.39) | CYP17A1ALDH1A1LMNASLC22A12FFAR4 | |
| SCHEMBL20347196 | 0.86 | MKNK1 (0.47) | LMNASLC22A12KIF11BRS3CYP3A4 | |
| SCHEMBL20347171 | 0.84 | ALDH1A1 (0.41) | ALDH1A1LMNAMMP12PTPN1 | |
| SCHEMBL20347166 | 0.84 | RARB (0.48) | ALDH1A1LMNAPTPRB | |
| SCHEMBL20347176 | 0.82 | LMNA (0.40) | AAK1ALDH1A1LMNAFFAR4MAP4K4 | |
| SCHEMBL20347179 | 0.82 | BRS3 (0.46) | ALDH1A1LMNAFFAR4BRS3CYP2D6 | |
| SCHEMBL20347187 | 0.81 | LMNA (0.44) | PPIDALDH1A1LMNAPTPRBMAPK1 | |
| SCHEMBL20347149 | 0.80 | ALDH1A1 (0.43) | ALDH1A1LMNAPTPRBCYP3A4PTPN1 | |
| SCHEMBL20347178 | 0.79 | LTA4H (0.43) | CYP17A1 | |
| SCHEMBL20347182 | 0.77 | BRS3 (0.41) | ALDH1A1LMNAMMP12MMP13BRS3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10570167-B2 | Ectonucleotidase inhibitors and methods of use thereof | CALITHERA BIOSCIENCES, INC. (US) | 2020-02-25 | — | — | US | disclosed |
| US-20180186827-A1 | Ectonucleotidase Inhibitors and Methods of Use Thereof | ANTENGENE THERAPEUTICS LIMITED (CN) | 2018-07-05 | — | — | US | disclosed |
| US-20180186827-A1 | Ectonucleotidase Inhibitors and Methods of Use Thereof | ANTENGENE THERAPEUTICS LIMITED (CN) | 2018-07-05 | — | — | 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-20180186827-A1 | Ectonucleotidase Inhibitors and Methods of Use Thereof | NT5E, ENTPD5, NT5C2 | CYP17A1 2992/4885AAK1 2930/4885PPID 1350/4885 |
| US-10570167-B2 | Ectonucleotidase inhibitors and methods of use thereof | NT5E, ENTPD5, NT5C2 | CYP17A1 2992/4885AAK1 2930/4885PPID 1350/4885 |
“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.