Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CASP1 | P29466 | 3/20 | 0.40 |
| ▸ | CASP7 | P55210 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16651634 | 0.82 | ALDH1A1 (0.50) | TSHRCLK4CYP2D6HSD17B10USP2 | |
| SCHEMBL27507507 | 0.82 | HDAC6 (0.44) | TSHRCLK4CYP2D6HSD17B10USP2 | |
| SCHEMBL15286548 | 0.81 | TSHR (0.56) | TSHRCLK4CYP2D6HSD17B10USP2 | |
| SCHEMBL598464 | 0.80 | POLB (0.65) | TSHRHSD17B10USP2HDAC6ALDH1A1 | |
| SCHEMBL25419798 | 0.79 | CHRNB2 (0.51) | TSHRHSD17B10HDAC6ALDH1A1KDM4E | |
| SCHEMBL12485764 | 0.79 | TAAR1 (0.51) | TSHRCLK4CYP2D6HSD17B10USP2 | |
| SCHEMBL3613525 | 0.78 | OGA (0.49) | TSHRHSD17B10HDAC6ALDH1A1KDM4E | |
| SCHEMBL23560975 | 0.78 | HDAC6 (0.55) | TSHRHSD17B10HDAC6ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL30422704 | 0.78 | ALDH1A1 (0.53) | TSHRHSD17B10HDAC6ALDH1A1KDM4E | |
| SCHEMBL23064392 | 0.77 | TSHR (0.53) | TSHRCLK4CYP2D6HSD17B10USP2 |
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-2021158698-A1 | MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. (US) | 2021-08-12 | — | — | WO | disclosed |