Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.78 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.78 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.68 |
| ▸ | MAPT | P10636 | 3/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL31684034 | 1.00 | TSHR (0.78) | TSHRCYP3A4CYP2C9CYP2C19CHRM4 | |
| SCHEMBL10723724 | 0.90 | CHRM4 (0.64) | TSHRCYP3A4CYP2C9CYP2C19CHRM4 | |
| SCHEMBL493231 | 0.85 | TSHR (1.00) | TSHRCYP3A4CYP2C9CYP2C19CHRM4 | |
| SCHEMBL31684036 | 0.85 | TSHR (1.00) | TSHRCYP3A4CYP2C9CYP2C19CHRM4 | |
| SCHEMBL2963267 | 0.84 | KDM4E (0.67) | TSHRCYP3A4CYP2C9CYP2C19CHRM4 | |
| SCHEMBL3244492 | 0.83 | CYP3A4 (0.74) | TSHRCYP3A4CYP2C9CYP2C19CHRM4 | |
| SCHEMBL4148177 | 0.83 | TSHR (0.54) | TSHRCYP3A4CYP2C9CYP2C19CHRM4 | |
| SCHEMBL27974780 | 0.83 | CHRM4 (0.54) | TSHRCYP3A4CYP2C9CYP2C19CHRM4 | |
| SCHEMBL5247397 | 0.83 | KMT2A (0.59) | TSHRCYP3A4CYP2C9CYP2C19CHRM4 | |
| SCHEMBL10719519 | 0.82 | SMN1; SMN2 (0.80) | TSHRCYP3A4CYP2C9CYP2C19MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2134714-A1 | TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY | Biovitrum AB (publ) (SE) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008110598-A1 | TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY | BIOVITRUM AB (PUBL) (SE) | 2008-09-18 | — | — | WO | disclosed |