Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.84 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15704 | 0.92 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL29466998 | 0.92 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL7607913 | 0.90 | ALDH1A1 (0.95) | ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| Hydrochloric Acid SCHEMBL2862605 | 0.90 | ALDH1A1 (0.95) | ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| Hydrochloric Acid SCHEMBL4379595 | 0.90 | ALDH1A1 (0.95) | ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| Alcohol SCHEMBL29138983 | 0.88 | ALDH1A1 (0.91) | ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL27740859 | 0.87 | ALDH1A1 (0.75) | ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| Cyanide SCHEMBL28071429 | 0.86 | ALDH1A1 (0.88) | ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| Acetic Acid SCHEMBL29168779 | 0.85 | ALDH1A1 (0.78) | ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL11092325 | 0.84 | ALDH1A1 (0.84) | ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1 |
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 | ALDH1A1 417/4885CYP1A2 638/4885CYP2C9 510/4885 |
“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.