Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.37 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23713528 | 0.81 | TSHR (0.48) | TSHRTRPA1TAAR1CFTRENPP2 | |
| SCHEMBL6252441 | 0.79 | TSHR (0.50) | TSHRCFTRENPP2HPGDSACMSD | |
| SCHEMBL11888529 | 0.79 | ENPP2 (0.45) | TSHRTRPA1CFTRENPP2PRSS1 | |
| SCHEMBL3279344 | 0.79 | HDAC4 (0.47) | TSHRENPP2PRSS1PRSS2PRSS3 | |
| SCHEMBL19759679 | 0.77 | ENPP2 (0.44) | TSHRTRPA1CFTRENPP2PRSS1 | |
| SCHEMBL15045355 | 0.77 | ENPP2 (0.48) | TSHRCFTRENPP2ACMSDPRSS1 | |
| SCHEMBL5375384 | 0.77 | MEN1 (0.44) | TSHRENPP2PRSS1PRSS2PRSS3 | |
| SCHEMBL23713527 | 0.76 | TSHR (0.46) | TSHRTRPA1CFTRENPP2HPGDS | |
| SCHEMBL22008359 | 0.76 | PRKCI (0.49) | TSHRHPGDSADAMTS4ACMSD | |
| SCHEMBL23343765 | 0.76 | ENPP2 (0.42) | TSHRTRPA1CFTRENPP2PRSS1 |
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-2023083933-A1 | NEUTRAL BRUSHES WITH TUNABLE POLARITY FOR SELF-ASSEMBLY OF BLOCK COPOLYMERS WITH POLY(STYRENE) AND POLY(METHYL METHACRYLATE) CONTAINING SEGMENTS | MERCK PATENT GMBH (DE) | 2023-05-19 | — | — | WO | disclosed |