Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.34 |
| ▸ | POLB | P06746 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.34 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL3346186 | 0.81 | ERCC5 (0.45) | ALDH1A1 | |
| SCHEMBL14828565 | 0.81 | PTGDR2 (0.42) | MEN1KMT2AKDM4EATMTP53 | |
| SCHEMBL2308886 | 0.81 | MEN1 (0.48) | MEN1KMT2APOLBKDM4ESMN1; SMN2 | |
| SCHEMBL14828536 | 0.79 | ERCC5 (0.48) | KMT2A | |
| SCHEMBL3379736 | 0.79 | MEN1 (0.34) | MEN1KMT2APOLBKDM4EATM | |
| SCHEMBL14828548 | 0.78 | PTGDR2 (0.47) | POLBTP53MAPT | |
| SCHEMBL2357888 | 0.78 | GRIN1 (0.38) | MEN1KMT2APOLBKDM4ESMN1; SMN2 | |
| SCHEMBL14828516 | 0.78 | RORC (0.42) | MEN1KMT2ASMN1; SMN2ATMMAPT | |
| SCHEMBL3380581 | 0.77 | ADORA2B (0.42) | MEN1KMT2AKDM4EALDH1A1LMNA | |
| SCHEMBL14828521 | 0.77 | KMT2A (0.35) | MEN1KMT2APOLBATMMAPT |
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 3 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 |
| WO-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | WO | disclosed |