Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | ABL1 | P00519 | 10/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | NNMT | P40261 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| Isophthalic Acid SCHEMBL27798926 | 0.83 | HCAR3 (0.47) | ABL1 | |
| SCHEMBL2671319 | 0.79 | ABL1 (0.55) | CYP2A6CYP1A2ABL1EGFRAPP | |
| SCHEMBL22516935 | 0.79 | ABL1 (0.67) | ABL1 | |
| SCHEMBL13804176 | 0.78 | CYP1A2 (0.54) | CYP2A6CYP1A2ABL1EGFR | |
| SCHEMBL18236260 | 0.78 | MEN1 (0.51) | CYP2A6CYP1A2ABL1TDP1 | |
| Isophthalic Acid SCHEMBL27798928 | 0.76 | HCAR3 (0.47) | CYP2A6 | |
| Hydrochloric Acid SCHEMBL7398907 | 0.76 | CYP1A2 (0.52) | CYP2A6CYP1A2ABL1EGFR | |
| SCHEMBL8404528 | 0.75 | CYP1A2 (0.61) | CYP2A6CYP1A2ABL1TDP1CCR1 | |
| SCHEMBL29404737 | 0.75 | CYP1A2 (0.61) | CYP2A6CYP1A2ABL1TDP1CCR1 | |
| SCHEMBL23768169 | 0.74 | ABL1 (0.49) | ABL1 |
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-11840523-B2 | IRE1α inhibitors and uses thereof | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2023-12-12 | — | — | 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-11840523-B2 | IRE1α inhibitors and uses thereof | XBP1, ERN2, ERN1 | CYP2A6 3877/4885CYP1A2 2434/4885ABL1 2142/4885 |
“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.