Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | WHR1 | P49842 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20926958 | 0.86 | HRH3 (0.39) | HRH3CYP2D6ALDH1A1KDM1AKCNH2 | |
| SCHEMBL16015324 | 0.84 | WHR1 (0.39) | HRH3CYP2D6ALDH1A1KDM1AKCNH2 | |
| SCHEMBL16015435 | 0.84 | DPP7 (0.36) | ALDH1A1ROCK2 | |
| SCHEMBL31491232 | 0.83 | — | — | |
| SCHEMBL13300915 | 0.82 | KDM1A (0.36) | HRH3CYP2D6ALDH1A1KDM1AKCNH2 | |
| SCHEMBL21725281 | 0.82 | EPHX2 (0.30) | — | |
| SCHEMBL16015327 | 0.82 | HRH3 (0.36) | HRH3CYP2D6ALDH1A1KDM1AACKR3 | |
| SCHEMBL24915995 | 0.79 | KDM1A (0.42) | HRH3CYP2D6ALDH1A1KDM1AKCNH2 | |
| SCHEMBL9950713 | 0.79 | EPHX1 (0.40) | CYP2D6ALDH1A1 | |
| SCHEMBL17743405 | 0.79 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210047328-A1 | PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS | G1 THERAPEUTICS, INC. (US) | 2021-02-18 | — | — | US | disclosed |
| US-20200239486-A1 | PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER | G1 THERAPEUTICS, INC. (US) | 2020-07-30 | — | — | US | disclosed |
| US-20190119294-A1 | PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER | G1 THERAPEUTICS, INC. (US) | 2019-04-25 | — | — | US | disclosed |
| US-20170190713-A1 | FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF | WUXI APPTEC (HONG KONG) CO., LIMITED (HK) | 2017-07-06 | — | — | US | disclosed |
| US-20170190713-A1 | FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF | WUXI APPTEC (HONG KONG) CO., LIMITED (HK) | 2017-07-06 | — | — | 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 (4 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-20210047328-A1 | PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS | TYMP, TYMS, DPYD | HRH3 3742/4885CYP2D6 3417/4885ALDH1A1 1403/4885 |
| US-20190119294-A1 | PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER | TYMS, TYMP, DPYD | HRH3 3572/4885CYP2D6 2612/4885ALDH1A1 911/4885 |
| US-20200239486-A1 | PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER | TYMS, TYMP, DPYD | HRH3 3572/4885CYP2D6 2612/4885ALDH1A1 911/4885 |
| US-20170190713-A1 | FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF | MKNK2, CYP2J2, PTGS2 | HRH3 2018/4885CYP2D6 562/4885ALDH1A1 4091/4885 |
“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.