Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.47 |
| ▸ | P4HB | P07237 | 1/20 | 0.43 |
| ▸ | CCR6 | P51684 | 1/20 | 0.39 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6944749 | 0.93 | NOTUM (0.39) | NOTUMP4HBCCR6HKDC1CA12 | |
| SCHEMBL6540511 | 0.81 | TRPA1 (0.39) | NOTUMCA12CA1CA2CA7 | |
| SCHEMBL20649394 | 0.81 | NR1H4 (0.38) | CA12CA1CA2CA7XDH | |
| SCHEMBL21876581 | 0.80 | NR4A2 (0.39) | HPGDALDH1A1HSD17B10SMN1; SMN2TSHR | |
| SCHEMBL6592846 | 0.79 | NOTUM (0.51) | NOTUMP4HBCCR6HKDC1CA12 | |
| SCHEMBL12410847 | 0.78 | LOXL2 (0.50) | NOTUMCA12CA1CA2CA7 | |
| SCHEMBL2441663 | 0.78 | NOTUM (0.48) | NOTUMP4HBCCR6HKDC1CA12 | |
| SCHEMBL17969019 | 0.77 | NOTUM (0.50) | NOTUMCA12CA1CA2CA7 | |
| SCHEMBL18304369 | 0.77 | MRGPRX4 (0.40) | NOTUMP4HBALDH1A1MAPTGAA | |
| SCHEMBL28847028 | 0.77 | ABCB1 (0.38) | — |
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 |