Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 4/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29979116 | 0.86 | CNR2 (0.51) | ALDH1A1HSD17B10ALOX15 | |
| SCHEMBL16815333 | 0.74 | ACHE (0.50) | HRH4HRH3HTR3ASORD | |
| SCHEMBL11988947 | 0.72 | SMO (0.52) | FYNTDO2HRH4HRH3HTR3A | |
| SCHEMBL24007658 | 0.72 | CLK2 (0.43) | — | |
| SCHEMBL30274584 | 0.72 | CLK2 (0.43) | — | |
| SCHEMBL31587676 | 0.71 | TRPV3 (0.43) | CYP3A4CLK4HDAC1RAB9ADYRK1A | |
| SCHEMBL20420302 | 0.70 | FYN (0.45) | ALDH1A1CYP1A2HSD17B10CYP3A4CLK4 | |
| SCHEMBL29883568 | 0.70 | HRH4 (0.62) | FYNTNKSZAP70HRH4HRH3 | |
| SCHEMBL25082177 | 0.70 | CNR2 (0.52) | ALDH1A1CYP1A2HSD17B10CLK4TSHR | |
| SCHEMBL29979194 | 0.70 | GFER (0.49) | ALDH1A1CYP1A2HSD17B10TSHRUSP2 |
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-2022216945-A1 | MACROCYCLIC MCL1 INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-10-13 | — | — | WO | disclosed |