Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 11/20 | 0.81 |
| ▸ | PKLR | P30613 | 7/20 | 0.81 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29518915 | 1.00 | PKM (0.81) | PKMPKLRTSHRCYP3A4CYP2C9 | |
| SCHEMBL2239830 | 0.90 | PKM (1.00) | PKMPKLRTDP1 | |
| SCHEMBL30597549 | 0.88 | PKM (0.64) | PKMPKLRTSHRCYP3A4CYP2C9 | |
| SCHEMBL4580127 | 0.81 | PKM (0.76) | PKMPKLRTSHRSMN1; SMN2 | |
| SCHEMBL17808926 | 0.81 | PKM (0.76) | PKMPKLRTSHRCYP3A4CYP2C9 | |
| SCHEMBL4002592 | 0.81 | PKM (0.64) | PKMPKLRTDP1 | |
| SCHEMBL19871301 | 0.80 | PKM (0.79) | PKMPKLRALDH1A1TDP1 | |
| SCHEMBL20145597 | 0.79 | TSHR (0.75) | PKMPKLRTSHRCYP3A4CYP2C9 | |
| SCHEMBL17800942 | 0.78 | PKM (0.74) | PKMPKLRALDH1A1TDP1 | |
| SCHEMBL28927218 | 0.78 | TSHR (0.61) | PKMPKLRTSHRCYP3A4CYP2C9 |
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 |