Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RBP4 | P02753 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20649292 | 0.88 | CREBBP (0.36) | NR1H4CNR2SLC6A4HDAC1 | |
| SCHEMBL20649289 | 0.81 | NOTUM (0.47) | KDM4EALDH1A1HPGDMAPTRAB9A | |
| SCHEMBL22941896 | 0.80 | CHRNB2 (0.39) | NR1H4CHRNB2CHRNA4CNR2SLC6A2 | |
| SCHEMBL6540511 | 0.78 | TRPA1 (0.39) | NR1H4KDM4EALDH1A1HPGDNPC1 | |
| SCHEMBL2498155 | 0.77 | CA12 (0.44) | CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16839669 | 0.76 | CA12 (0.42) | CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2505147 | 0.76 | CA12 (0.42) | CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12410847 | 0.74 | LOXL2 (0.50) | KDM4EALDH1A1HPGDNPC1MAPT | |
| SCHEMBL6944749 | 0.74 | NOTUM (0.39) | ALDH1A1NPC1MAPTRAB9ACA12 | |
| SCHEMBL7385091 | 0.73 | LOXL2 (0.55) | KDM4EALDH1A1HPGDMAPTRAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019011166-A1 | MACROCYCLIC AMIDE COMPOUND, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-01-17 | — | — | WO | disclosed |