Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | FASN | P49327 | 1/20 | 0.36 |
| ▸ | SOAT2 | O75908 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28102522 | 1.00 | HMGCR (0.40) | HMGCRALDH1A1TSHRFASNSOAT2 | |
| SCHEMBL27697824 | 0.93 | FASN (0.45) | HMGCRALDH1A1TSHRFASNFAAH | |
| SCHEMBL29627131 | 0.93 | FASN (0.45) | HMGCRALDH1A1TSHRFASNFAAH | |
| SCHEMBL28070993 | 0.93 | FASN (0.45) | HMGCRALDH1A1TSHRFASNFAAH | |
| SCHEMBL30766358 | 0.89 | FAAH (0.42) | HMGCRSOAT2SOAT1FAAHCNR1 | |
| SCHEMBL3308611 | 0.83 | TSHR (0.39) | HMGCRALDH1A1TSHRFASNFAAH | |
| SCHEMBL3308609 | 0.83 | TSHR (0.39) | HMGCRALDH1A1TSHRFASNFAAH | |
| Bupleurynol SCHEMBL30128782 | 0.80 | ABCG2 (0.47) | HMGCRALDH1A1TSHRFASNFAAH | |
| Bupleurotoxin SCHEMBL29664260 | 0.79 | SOAT2 (0.38) | SOAT2SOAT1FAAHCNR1CNR2 | |
| Oenanthotoxin SCHEMBL1170270 | 0.79 | SOAT2 (0.38) | SOAT2SOAT1FAAHCNR1CNR2 |
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-105646151-A | Alkyne compounds as well as preparation method and application thereof | 山西大学 | 2016-06-08 | — | — | CN | disclosed |