Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 2/20 | 0.32 |
| ▸ | RARA | P10276 | 1/20 | 0.32 |
| ▸ | RARG | P13631 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157569 | 0.89 | CES2 (0.41) | KMT2AHTT | |
| SCHEMBL21564972 | 0.88 | KDM4E (0.34) | KMT2AALDH1A1TP53TSHRKDM4E | |
| SCHEMBL20157333 | 0.86 | MAOB (0.38) | KMT2AALDH1A1KDM4ELMNANPC1 | |
| SCHEMBL20157822 | 0.85 | HPGD (0.38) | KMT2AALDH1A1MAPTLMNANPC1 | |
| SCHEMBL20157342 | 0.83 | SRD5A2 (0.43) | KMT2AALDH1A1MAPTMAPK1LMNA | |
| SCHEMBL20157772 | 0.83 | LOXL2 (0.38) | KMT2AALDH1A1LOXL2TP53MAPT | |
| SCHEMBL21555624 | 0.81 | KMT2A (0.33) | KMT2AKDM4EHTT | |
| SCHEMBL20157893 | 0.81 | NPC1 (0.41) | LOXL2TP53MAPTMAPK1NPC1 | |
| SCHEMBL20157579 | 0.80 | TP53 (0.38) | KMT2AALDH1A1TP53MAPTMAPK1 | |
| SCHEMBL20157769 | 0.79 | HPGD (0.39) | KMT2AALDH1A1LMNANPC1 |
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-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |
| WO-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |