Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.36 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.36 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 2/20 | 0.36 |
| ▸ | PREP | P48147 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28907976 | 0.80 | SMN1; SMN2 (0.42) | SMN1; SMN2 | |
| SCHEMBL28907975 | 0.80 | SMN1; SMN2 (0.42) | SMN1; SMN2 | |
| SCHEMBL28523651 | 0.77 | KCNH2 (0.43) | — | |
| SCHEMBL28523650 | 0.77 | KCNH2 (0.43) | — | |
| SCHEMBL28528446 | 0.77 | CHRM5 (0.42) | SMN1; SMN2CYP2C19FAAH | |
| SCHEMBL28528445 | 0.77 | CHRM5 (0.42) | SMN1; SMN2CYP2C19FAAH | |
| SCHEMBL28555602 | 0.74 | — | — | |
| SCHEMBL28991793 | 0.74 | TACR1 (0.42) | — | |
| SCHEMBL28545919 | 0.70 | — | — | |
| SCHEMBL28519269 | 0.68 | ALDH1A1 (0.45) | HTR2CPOLBFAAH |
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-112745325-A | Pyrrole spiro-butyrolactam derivative and preparation thereof | 四川海思科制药有限公司 | 2021-05-04 | — | — | CN | disclosed |