Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 8/20 | 0.42 |
| ▸ | JAK2 | O60674 | 6/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.37 |
| ▸ | CD38 | P28907 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28064638 | 0.86 | MCL1 (0.47) | BTKJAK2TSHRMCL1NPC1 | |
| SCHEMBL28064501 | 0.81 | PRMT5 (0.41) | TSHRMCL1CD38KDM4EL3MBTL1 | |
| SCHEMBL6595214 | 0.73 | TSHR (0.64) | TSHRKDM4EL3MBTL1EGFRSRC | |
| SCHEMBL35212204 | 0.73 | TSHR (0.64) | TSHRKDM4EL3MBTL1EGFRSRC | |
| SCHEMBL28064572 | 0.73 | BTK (0.40) | BTKJAK2NPC1RAB9AKDM4E | |
| Hydrochloric Acid SCHEMBL28262758 | 0.72 | TSHR (0.62) | TSHRKDM4EL3MBTL1EGFRSRC | |
| SCHEMBL16580058 | 0.72 | IDO1 (0.38) | L3MBTL1 | |
| SCHEMBL16571533 | 0.71 | L3MBTL1 (0.44) | JAK2L3MBTL1 | |
| SCHEMBL16571067 | 0.71 | DHODH (0.40) | — | |
| SCHEMBL16381206 | 0.70 | FEN1 (0.49) | TSHRNPC1KDM4EL3MBTL1EGFR |
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 |
|---|---|---|---|---|---|---|---|
| CN-105555763-A | Indole-carboxamide derivatives | HOFFMANN LA ROCHE | 2016-05-04 | — | — | CN | disclosed |