Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3630302 | 0.89 | TSHR (0.45) | TSHRGABRA2GABRB2KMT2AALDH1A1 | |
| SCHEMBL3632609 | 0.89 | GABRA2 (0.46) | TSHRGABRA2GABRB2KMT2AALDH1A1 | |
| SCHEMBL3627551 | 0.89 | TSHR (0.45) | TSHRGABRA2GABRB2KMT2AALDH1A1 | |
| SCHEMBL3626836 | 0.85 | MEN1 (0.44) | KMT2AALDH1A1GAAMEN1KDM4E | |
| SCHEMBL3631893 | 0.85 | GABRA2 (0.47) | TSHRGABRA2GABRB2KMT2AALDH1A1 | |
| SCHEMBL3633407 | 0.80 | PDE4D (0.46) | TSHRGABRA2GABRB2KMT2AALDH1A1 | |
| SCHEMBL3628896 | 0.76 | ALDH1A1 (0.45) | TSHRGABRA2GABRB2KMT2AALDH1A1 | |
| SCHEMBL11133646 | 0.76 | PDE4D (0.55) | TSHRGABRA2GABRB2KMT2AALDH1A1 | |
| SCHEMBL3634946 | 0.75 | ALDH1A1 (0.51) | TSHRGABRA2GABRB2KMT2AALDH1A1 | |
| SCHEMBL19349191 | 0.75 | PDE4D (0.51) | TSHRGABRA2GABRB2KMT2AALDH1A1 |
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 |