Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL28046836 | 0.80 | TSHR (0.53) | TSHRMAPK1SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL1946788 | 0.78 | TSHR (0.52) | TSHRMAPK1SMN1; SMN2ALDH1A1TDP1 | |
| Isopropyl Alcohol SCHEMBL27564110 | 0.78 | TSHR (0.52) | TSHRMAPK1SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL15797057 | 0.76 | TSHR (0.50) | TSHRMAPK1SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL7724397 | 0.74 | TSHR (0.43) | TSHRMAPK1SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL27911873 | 0.74 | TSHR (0.48) | TSHRMAPK1SMN1; SMN2ALDH1A1TDP1 | |
| Cyclohexane SCHEMBL27838990 | 0.74 | TSHR (0.48) | TSHRMAPK1SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL9792647 | 0.74 | TSHR (0.48) | TSHRMAPK1SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL27877270 | 0.73 | TSHR (0.64) | TSHRMAPK1SMN1; SMN2ALDH1A1TDP1 | |
| Isobutane SCHEMBL1759584 | 0.73 | TSHR (0.56) | TSHRMAPK1SMN1; SMN2ALDH1A1TDP1 |
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-6323375-B1 | USED AS POLYMERIZATION CATALYST FOR PRODUCING POLYETHERS | BAYER AKTIENGESELLSCHAFT (DE) | 2001-11-27 | — | — | US | disclosed |