Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | VHL | P40337 | 1/20 | 0.35 |
| ▸ | ELOC | Q15369 | 1/20 | 0.35 |
| ▸ | ELOB | Q15370 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11982029 | 0.80 | TSHR (0.43) | TSHRNOS3NOS1PRSS1PRSS2 | |
| SCHEMBL23650068 | 0.74 | PRKCI (0.43) | TSHRNOS3NOS1PRSS1PRSS2 | |
| SCHEMBL41775 | 0.72 | TSHR (0.67) | TSHRNOS3NOS1PRSS1PRSS2 | |
| SCHEMBL8283253 | 0.72 | TSHR (0.46) | TSHRNOS3NOS1PRSS1PRSS2 | |
| Fluoride SCHEMBL28282617 | 0.69 | TSHR (0.62) | TSHRNOS3NOS1PRSS1PRSS2 | |
| SCHEMBL27845795 | 0.67 | TSHR (0.59) | TSHRNOS3NOS1PRSS1PRSS2 | |
| SCHEMBL31672218 | 0.67 | TSHR (0.59) | TSHRNOS3NOS1PRSS1PRSS2 | |
| 1,6-Hexanediol SCHEMBL9893399 | 0.66 | TSHR (0.50) | TSHRNOS3NOS1PRSS1PRSS2 | |
| SCHEMBL25301605 | 0.66 | TSHR (0.50) | TSHRPRSS1PRSS2PRSS3CA2 | |
| SCHEMBL21114374 | 0.66 | IDO1 (0.52) | TSHRNOS3NOS1PRSS1PRSS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-11067893-B2 | Compositions and processes for self-assembly of block copolymers | MERCK PATENT GMBH (DE) | 2021-07-20 | — | — | US | disclosed |