Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SHBG | P04278 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 7/20 | 0.47 |
| ▸ | CA1 | P00915 | 6/20 | 0.47 |
| ▸ | CA9 | Q16790 | 6/20 | 0.47 |
| ▸ | CA12 | O43570 | 4/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30751605 | 1.00 | CYP3A4 (0.55) | CYP3A4NPC1RAB9ACYP1A2CYP2C9 | |
| SCHEMBL28044179 | 1.00 | CYP3A4 (0.55) | CYP3A4NPC1RAB9ACYP1A2CYP2C9 | |
| SCHEMBL30751604 | 1.00 | CYP3A4 (0.55) | CYP3A4NPC1RAB9ACYP1A2CYP2C9 | |
| SCHEMBL12446356 | 1.00 | CYP3A4 (0.55) | CYP3A4NPC1RAB9ACYP1A2CYP2C9 | |
| SCHEMBL30894527 | 1.00 | CYP3A4 (0.55) | CYP3A4NPC1RAB9ACYP1A2CYP2C9 | |
| SCHEMBL28044264 | 1.00 | CYP3A4 (0.55) | CYP3A4NPC1RAB9ACYP1A2CYP2C9 | |
| SCHEMBL7439981 | 0.87 | CYP3A4 (0.62) | CYP3A4NPC1RAB9ACYP1A2CYP2C9 | |
| SCHEMBL7432864 | 0.87 | CYP3A4 (0.62) | CYP3A4NPC1RAB9ACYP1A2CYP2C9 | |
| SCHEMBL6832312 | 0.87 | ALDH1A1 (0.56) | NPC1RAB9ASMN1; SMN2MAPTMEN1 | |
| SCHEMBL11310048 | 0.79 | EED (0.50) | MAPTLMNAALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024051666-A1 | DIBENZYLBUTYROLACTONE GLYCOSIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2024-03-14 | — | — | WO | disclosed |