Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLP1R | P43220 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2357888 | 0.82 | GRIN1 (0.38) | KMT2AMEN1PTGDR2KAT2BAKR1B1 | |
| SCHEMBL2306409 | 0.82 | GRIN1 (0.36) | KMT2AMEN1PTGDR2KAT2BAKR1B1 | |
| SCHEMBL2313634 | 0.81 | GNRHR (0.37) | GLP1RKMT2AMEN1AKR1B1 | |
| SCHEMBL14828565 | 0.81 | PTGDR2 (0.42) | KMT2AMEN1PTGDR2ATM | |
| SCHEMBL2309555 | 0.79 | FEN1 (0.48) | GLP1R | |
| SCHEMBL14828542 | 0.79 | ADORA2B (0.43) | GLP1RKMT2AMEN1PTGDR2KAT2B | |
| SCHEMBL14828545 | 0.79 | FEN1 (0.50) | KMT2AMEN1AKR1B1TSHR | |
| SCHEMBL14828540 | 0.79 | ERCC5 (0.47) | POLB | |
| SCHEMBL2308318 | 0.79 | FNTA (0.37) | GLP1RKMT2AMEN1KAT2BPOLB | |
| SCHEMBL2832433 | 0.79 | LMNA (0.38) | KMT2AMEN1KAT2BATMPOLB |
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 |