Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PLK1 | P53350 | 2/20 | 0.34 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.33 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2148956 | 0.86 | TP53 (0.35) | TP53PLK1ESR1 | |
| SCHEMBL2149620 | 0.84 | TP53 (0.51) | MAPTTP53TDP1CYP1A2CYP3A4 | |
| SCHEMBL1550815 | 0.82 | TP53 (0.41) | TP53PTPN1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29009675 | 0.73 | TP53 (0.41) | MAPTTP53CYP3A4CYP2C19TSHR | |
| SCHEMBL2148966 | 0.70 | TP53 (0.51) | TP53POLBTSHR | |
| SCHEMBL3633764 | 0.70 | POLQ (0.53) | TP53 | |
| SCHEMBL29571315 | 0.69 | CES2 (0.50) | TDP1PLK1PLK3 | |
| SCHEMBL10398579 | 0.69 | CES2 (0.50) | TDP1PLK1PLK3 | |
| SCHEMBL20505599 | 0.68 | BID (0.51) | MAPTPTPN1PLK1PLK3 | |
| SCHEMBL1365718 | 0.68 | CES2 (0.45) | TDP1PLK1POLB |
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-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | disclosed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | disclosed |