Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 7/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14828568 | 0.81 | CYP1B1 (0.39) | TSHRFEN1AKR1B1 | |
| SCHEMBL14828565 | 0.81 | PTGDR2 (0.42) | MAPTMEN1KMT2A | |
| SCHEMBL3346327 | 0.80 | MAPT (0.43) | MAPTTSHRHTTPOLBFEN1 | |
| SCHEMBL14828545 | 0.79 | FEN1 (0.50) | MAPTTSHRFEN1AKR1B1MEN1 | |
| SCHEMBL14828571 | 0.79 | SCN9A (0.39) | FEN1AKR1B1MEN1KMT2ASLC6A3 | |
| SCHEMBL1367105 | 0.79 | CYP1B1 (0.39) | MEN1KMT2A | |
| SCHEMBL2308886 | 0.78 | MEN1 (0.48) | TSHRHTTPOLBFEN1MEN1 | |
| SCHEMBL14828557 | 0.78 | LMNA (0.40) | MAPTPOLBAKR1B1MEN1KMT2A | |
| SCHEMBL2309930 | 0.78 | ALDH1A1 (0.35) | MAPTTSHRPOLBAKR1B1MEN1 | |
| SCHEMBL14828542 | 0.77 | ADORA2B (0.43) | CNR2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-8415373-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | claimed |
| US-8415373-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | disclosed |