Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | GRB2 | P62993 | 1/20 | 0.44 |
| ▸ | HSD17B3 | P37058 | 9/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | GLA | P06280 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17601907 | 0.88 | HSD17B3 (0.44) | AKR1B1LCKFYNGRB2HSD17B3 | |
| SCHEMBL17601894 | 0.82 | ERN1 (0.49) | KDM4EALDH1A1GLAGAALMNA | |
| SCHEMBL17601923 | 0.80 | LCK (0.59) | AKR1B1LCKFYNGRB2HSD17B3 | |
| SCHEMBL17601892 | 0.77 | HSD17B3 (0.55) | AKR1B1LCKFYNGRB2HSD17B3 | |
| SCHEMBL16197957 | 0.74 | HSD17B3 (0.52) | AKR1B1LCKFYNGRB2HSD17B3 | |
| SCHEMBL30848898 | 0.73 | ERN1 (0.47) | AKR1B1LCKFYNGRB2HSD17B3 | |
| SCHEMBL8961041 | 0.72 | HSD17B3 (0.56) | AKR1B1LCKFYNGRB2HSD17B3 | |
| SCHEMBL29785167 | 0.72 | HSD17B3 (0.63) | AKR1B1LCKFYNGRB2HSD17B3 | |
| SCHEMBL18986303 | 0.72 | HSD17B3 (0.63) | AKR1B1LCKFYNGRB2HSD17B3 | |
| SCHEMBL17601906 | 0.70 | ERN1 (0.47) | KDM4EALDH1A1GLAGAALMNA |
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-10323013-B2 | Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2019-06-18 | — | — | US | disclosed |
| US-20160083361-A1 | INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. | 2016-03-24 | — | — | 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 (2 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-10323013-B2 | Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof | XBP1, ERN1, SREBF1 | AKR1B1 1656/4885LCK 1394/4885FYN 2617/4885 |
| US-20160083361-A1 | INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF | XBP1, RRP1B, ERN1 | AKR1B1 2142/4885LCK 1385/4885FYN 2793/4885 |
“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.