Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16957553 | 0.80 | ESR2 (0.34) | ESR2NOTUMNPC1RAB9A | |
| SCHEMBL16952341 | 0.72 | ESR2 (0.34) | ESR2NOTUM | |
| SCHEMBL15352986 | 0.72 | ESR2 (0.34) | ESR2NOTUM | |
| SCHEMBL17046348 | 0.72 | IDO1 (0.30) | — | |
| SCHEMBL16953722 | 0.70 | ESR2 (0.35) | ESR2NOTUM | |
| SCHEMBL15352291 | 0.69 | HTR2C (0.40) | ESR2 | |
| SCHEMBL456743 | 0.68 | ESR2 (0.34) | ESR2NOTUM | |
| SCHEMBL193944 | 0.68 | ESR2 (0.38) | ESR2NOTUM | |
| SCHEMBL21268227 | 0.68 | ESR2 (0.43) | ESR2NPC1RAB9A | |
| SCHEMBL596912 | 0.67 | — | — |
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-108430998-A | Azabicyclo derivatives, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2018-08-21 | — | — | CN | disclosed |
| CN-108064223-A | FXR (NR1H4) modulating compound of hydroxyl | 吉利德科学公司 | 2018-05-22 | — | — | CN | disclosed |