Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.80 |
| ▸ | TSHR | P16473 | 4/20 | 0.80 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.46 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 2/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2313 | 0.89 | CYP3A4 (1.00) | CYP3A4TSHRALDH1A1TDP1KMT2A | |
| SCHEMBL4437873 | 0.89 | CYP3A4 (1.00) | CYP3A4TSHRALDH1A1TDP1KMT2A | |
| Hydrochloric Acid SCHEMBL27699078 | 0.88 | CYP3A4 (0.96) | CYP3A4TSHRALDH1A1TDP1KMT2A | |
| Water SCHEMBL7777064 | 0.88 | CYP3A4 (0.96) | CYP3A4TSHRALDH1A1TDP1KMT2A | |
| SCHEMBL11855244 | 0.80 | TSHR (0.69) | CYP3A4TSHRALDH1A1TDP1KMT2A | |
| Aniline SCHEMBL22169236 | 0.80 | TDP1 (0.82) | CYP3A4TSHRALDH1A1TDP1KMT2A | |
| Guanidine SCHEMBL1644175 | 0.79 | CYP3A4 (0.77) | CYP3A4TSHRALDH1A1TDP1KMT2A | |
| SCHEMBL29116826 | 0.78 | CYP3A4 (0.71) | CYP3A4TSHRALDH1A1TDP1KMT2A | |
| Aniline SCHEMBL22169221 | 0.78 | HTT (0.81) | CYP3A4TSHRALDH1A1TDP1KMT2A | |
| SCHEMBL13138664 | 0.77 | TSHR (0.76) | CYP3A4TSHRALDH1A1TDP1KMT2A |
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-10703746-B2 | Mutant IDH1 inhibitors useful for treating cancer | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2020-07-07 | — | — | 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-10703746-B2 | Mutant IDH1 inhibitors useful for treating cancer | IDH1, IDH3B, IDH3A | CYP3A4 876/4885TSHR 4167/4885ALDH1A1 417/4885 |
“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.