Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 13/20 | 0.64 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.64 |
| ▸ | LCK | P06239 | 1/20 | 0.64 |
| ▸ | FYN | P06241 | 1/20 | 0.64 |
| ▸ | GRB2 | P62993 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | GAA | P10253 | 4/20 | 0.61 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.59 |
| ▸ | GLA | P06280 | 3/20 | 0.59 |
| ▸ | CASP1 | P29466 | 2/20 | 0.53 |
| ▸ | CASP7 | P55210 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16197761 | 0.86 | AKR1B1 (0.68) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL868543 | 0.84 | LCK (0.65) | HSD17B3AKR1B1LCKFYNGRB2 | |
| Ammonia Solution, Strong SCHEMBL4558147 | 0.83 | LCK (0.64) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL723311 | 0.83 | LCK (0.63) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL724773 | 0.83 | LCK (0.63) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL20767987 | 0.82 | HSD17B3 (0.56) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL2791708 | 0.82 | AKR1B1 (0.74) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL17619213 | 0.80 | ERN1 (0.68) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL4215955 | 0.80 | HSD17B3 (0.75) | HSD17B3AKR1B1LCKFYNGRB2 | |
| SCHEMBL10093731 | 0.80 | ALDH1A1 (0.71) | HSD17B3AKR1B1LCKFYNGRB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11945789-B2 | Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2024-04-02 | — | — | US | disclosed |
| WO-2014176348-A1 | INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2014-10-30 | — | — | WO | 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-11945789-B2 | Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof | XBP1, DDIT3, ERN1 | HSD17B3 2599/4885AKR1B1 2102/4885LCK 3179/4885 |
“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.