Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20323910 | 1.00 | CES2 (0.39) | CES2TSHRCYP3A4CA2ABCB11 | |
| SCHEMBL21664618 | 0.96 | CES2 (0.39) | CES2TSHRCYP3A4CA2ABCB11 | |
| SCHEMBL20330375 | 0.94 | CES2 (0.47) | CES2TSHRCYP3A4CA2ABCB11 | |
| SCHEMBL21477137 | 0.94 | CES2 (0.41) | CES2TSHRCYP3A4EPHX2ALDH1A1 | |
| SCHEMBL20231745 | 0.94 | CA2 (0.39) | CES2TSHRCYP3A4CA2ABCB11 | |
| SCHEMBL20323861 | 0.94 | CA2 (0.39) | CES2TSHRCYP3A4CA2ABCB11 | |
| SCHEMBL3238976 | 0.94 | CA2 (0.39) | CES2TSHRCYP3A4CA2ABCB11 | |
| SCHEMBL2840008 | 0.94 | CA2 (0.39) | CES2TSHRCYP3A4CA2ABCB11 | |
| SCHEMBL5032172 | 0.94 | CA2 (0.39) | CES2TSHRCYP3A4CA2ABCB11 | |
| SCHEMBL1327135 | 0.94 | CA2 (0.39) | CES2TSHRCYP3A4CA2ABCB11 |
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-2024054604-A1 | HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE | HALDA THERAPEUTICS OPCO, INC. (US) | 2024-03-14 | — | — | WO | disclosed |