Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.57 |
| ▸ | CTSD | P07339 | 1/20 | 0.57 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 7/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.41 |
| ▸ | MEN1 | O00255 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | RECQL | P46063 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11648181 | 0.87 | NPC1 (0.53) | ALDH1A1TDP1CXCR2GAAKMT2A | |
| SCHEMBL29898001 | 0.83 | CTSD (0.56) | ALDH1A1TDP1CTSDCXCR2GAA | |
| SCHEMBL20775088 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TDP1CTSDCXCR2GAA | |
| SCHEMBL11410117 | 0.78 | RAB9A (0.51) | ALDH1A1TDP1GAAKMT2AMEN1 | |
| SCHEMBL1008928 | 0.78 | CXCR2 (0.68) | ALDH1A1TDP1CXCR2GAAKMT2A | |
| SCHEMBL29720861 | 0.78 | CXCR2 (0.68) | ALDH1A1TDP1CXCR2GAAKMT2A | |
| SCHEMBL8424211 | 0.77 | MAPT (0.44) | ALDH1A1CXCR2GAAKMT2AMEN1 | |
| Hydrazobenzene SCHEMBL51179 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TDP1CTSDGAAKMT2A | |
| SCHEMBL19737269 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TDP1CTSDGAAKMT2A | |
| SCHEMBL10741108 | 0.74 | CXCR2 (0.63) | ALDH1A1TDP1CXCR2GAAKMT2A |
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 417/4885TDP1 1693/4885CTSD 3836/4885 |
“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.