Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | C1S | P09871 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | PGK1 | P00558 | 1/20 | 0.35 |
| ▸ | PGK2 | P07205 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | AGXT | P21549 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4474737 | 0.85 | CA1 (0.47) | TSHRCA1CA2CA5ACA9 | |
| SCHEMBL15352176 | 0.81 | ALDH1A1 (0.44) | TSHRCA1CA2CA5ACA9 | |
| SCHEMBL1847239 | 0.81 | TSHR (0.61) | TSHRALDH1A1MAPK1PGK1PGK2 | |
| SCHEMBL11864924 | 0.79 | KIF11 (0.46) | TSHRCA1CA2CA5ACA9 | |
| SCHEMBL11657645 | 0.79 | KIF11 (0.46) | TSHRCA1CA2CA5ACA9 | |
| SCHEMBL11238627 | 0.77 | TSHR (0.50) | TSHRMAPK1PGK1PGK2 | |
| SCHEMBL10291600 | 0.76 | CA1 (0.53) | TSHRCA1CA2CA5ACA9 | |
| SCHEMBL5237734 | 0.76 | CA1 (0.53) | TSHRCA1CA2CA5ACA9 | |
| SCHEMBL30896627 | 0.76 | CA1 (0.53) | TSHRCA1CA2CA5ACA9 | |
| Hydrochloric Acid SCHEMBL19409801 | 0.76 | TSHR (0.55) | TSHRMAPK1KIF11PGK1PGK2 |
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-4155940-A | M-Bromo-benzotrifluorides | BAYER AKTIENGESELLSCHAFT (DE) | 1979-05-22 | — | — | US | disclosed |