Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.39 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 2/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21335009 | 0.76 | ALDH1A1 (0.52) | ALDH1A1HTTMAP3K5TP53TSHR | |
| SCHEMBL21334364 | 0.74 | ALDH1A1 (0.41) | ALDH1A1HTTMAP3K5TP53TSHR | |
| SCHEMBL15367225 | 0.73 | ALDH1A1 (0.48) | ALDH1A1TP53TSHRHSD17B10RAB9A | |
| SCHEMBL23790560 | 0.73 | ALDH1A1 (0.48) | ALDH1A1HTTMAP3K5TP53HSD17B10 | |
| SCHEMBL16739940 | 0.73 | ALDH1A1 (0.48) | ALDH1A1MAP3K5TP53HSD17B10XDH | |
| SCHEMBL22966379 | 0.72 | ALDH1A1 (0.47) | ALDH1A1HTTMAP3K5TP53HSD17B10 | |
| SCHEMBL9203151 | 0.72 | ALDH1A1 (0.47) | ALDH1A1HTTTP53HSD17B10KDM4E | |
| SCHEMBL3964554 | 0.70 | HTT (0.40) | ALDH1A1HTTMAP3K5TP53HSD17B10 | |
| SCHEMBL3650835 | 0.68 | PIM3 (0.41) | ALDH1A1HTTMAP3K5TP53TSHR | |
| Hypoxanthine SCHEMBL7037918 | 0.68 | ALDH1A1 (1.00) | ALDH1A1TP53TSHRHSD17B10RAB9A |
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-20210253580-A1 | ISOQUINOLINE COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2021-08-19 | — | — | 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-20210253580-A1 | ISOQUINOLINE COMPOUNDS AND USES THEREOF | HIPK1, HPGDS, IP6K1 | ALDH1A1 3680/4885HTT 2968/4885MAP3K5 23/4885 |
“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.