Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14828565 | 0.83 | PTGDR2 (0.42) | PTGDR2ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL14828548 | 0.83 | PTGDR2 (0.47) | PTGDR2MAPTPPARG | |
| SCHEMBL2311232 | 0.83 | EDNRB (0.35) | MAPTKMT2AMEN1ATMFEN1 | |
| SCHEMBL7914678 | 0.82 | POLB (0.36) | ALDH1A1KMT2AMEN1AURKASYK | |
| SCHEMBL2308956 | 0.81 | KMT2A (0.35) | ALDH1A1MAPTKMT2AMEN1ATM | |
| SCHEMBL1366943 | 0.81 | ALDH1A1 (0.37) | ALDH1A1MAPTKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL2831862 | 0.79 | CNR2 (0.46) | ALDH1A1MAPTKMT2AMEN1ATM | |
| SCHEMBL2832433 | 0.79 | LMNA (0.38) | ALDH1A1MAPTKMT2AMEN1ATM | |
| SCHEMBL2308886 | 0.79 | MEN1 (0.48) | PTGDR2KMT2AMEN1FEN1SMN1; SMN2 | |
| SCHEMBL2357888 | 0.78 | GRIN1 (0.38) | PTGDR2ALDH1A1MAPTKMT2AMEN1 |
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 |