Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.47 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 2/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.45 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18443835 | 0.89 | AURKA (0.45) | CYP19A1NPC1RAB9APDGFRBPDGFRA | |
| SCHEMBL1605929 | 0.87 | RAB9A (0.44) | CYP19A1NPC1RAB9ACHRNB2CHRNA4 | |
| SCHEMBL6425489 | 0.83 | CYP19A1 (0.47) | CYP19A1NPC1RAB9AIDO1KDM4E | |
| SCHEMBL30751162 | 0.82 | NPC1 (0.61) | NPC1RAB9APDGFRBPDGFRAKDM4E | |
| SCHEMBL6535073 | 0.82 | NPC1 (0.61) | NPC1RAB9APDGFRBPDGFRAKDM4E | |
| SCHEMBL18446785 | 0.82 | CLK2 (0.62) | WNT1 | |
| SCHEMBL20775496 | 0.82 | ITK (0.52) | PDGFRBWNT1AURKAKDR | |
| SCHEMBL20423072 | 0.82 | CLK2 (0.51) | PDGFRBPDGFRASIRT2SIRT1SIRT3 | |
| SCHEMBL18495498 | 0.81 | WNT1 (0.62) | WNT1 | |
| SCHEMBL7948626 | 0.80 | RAB9A (0.66) | CYP19A1NPC1RAB9AKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-105612174-A | Disulfide cyclic polypeptides for the treatment of heart failure | NOVARTIS AG | 2016-05-25 | — | — | CN | disclosed |
| CN-105612173-A | Cyclic APELIN derivatives for the treatment of heart failure | NOVARTIS AG | 2016-05-25 | — | — | CN | disclosed |