Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | CBFB | Q13951 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4877946 | 0.79 | — | — | |
| SCHEMBL28032013 | 0.67 | TRIM24 (0.42) | ALDH1A1LMNASMN1; SMN2TRIM24TRIM33 | |
| SCHEMBL25552636 | 0.64 | CHRNB4 (0.42) | ALDH1A1 | |
| SCHEMBL28234 | 0.64 | KDM4E (0.53) | KDM4ELMNASMN1; SMN2TDP1MEN1 | |
| SCHEMBL18572716 | 0.63 | — | — | |
| SCHEMBL19083206 | 0.63 | TRIM24 (0.34) | ALDH1A1KDM4ELMNASMN1; SMN2TRIM24 | |
| SCHEMBL27960587 | 0.63 | SMN1; SMN2 (0.41) | ALDH1A1KDM4ELMNASMN1; SMN2TRIM24 | |
| SCHEMBL14903435 | 0.63 | ERN1 (0.36) | ALDH1A1KDM4ELMNATRIM24TRIM33 | |
| SCHEMBL28020728 | 0.63 | ERN1 (0.43) | ALDH1A1KDM4ELMNATRIM24TRIM33 | |
| SCHEMBL10121812 | 0.63 | LTA4H (0.49) | ALDH1A1KDM4ESMN1; SMN2TRIM24TRIM33 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112601584-A | Isoquinoline compounds and uses thereof | 豪夫迈·罗氏有限公司 | 2021-04-02 | — | — | CN | disclosed |