Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CASP9 | P55211 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | PPID | Q08752 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1567252 | 0.87 | TSHR (0.52) | TSHRCYP4F2CYP4A11MEN1KMT2A | |
| SCHEMBL8402588 | 0.83 | NLRP3 (0.48) | TSHRCYP4F2CYP4A11MEN1KMT2A | |
| SCHEMBL31751033 | 0.83 | NLRP3 (0.48) | TSHRCYP4F2CYP4A11MEN1KMT2A | |
| SCHEMBL3634679 | 0.82 | HSD17B10 (0.42) | MEN1KMT2ASMN1; SMN2HTTCASP3 | |
| SCHEMBL3633768 | 0.80 | MEN1 (0.47) | TSHRMEN1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL3632334 | 0.80 | MAPT (0.40) | TSHRMEN1KMT2ACLCN2HTT | |
| SCHEMBL15334186 | 0.80 | L3MBTL1 (0.52) | CYP4F2CYP4A11MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL12098456 | 0.80 | CYP4F2 (0.45) | TSHRCYP4F2CYP4A11MEN1KMT2A | |
| SCHEMBL10955526 | 0.80 | ALDH1A1 (0.48) | CYP4F2CYP4A11HTTNLRP3KDM4E | |
| SCHEMBL319873 | 0.79 | PPID (0.54) | TSHRMEN1KMT2ASMN1; SMN2PPID |
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 |