Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PRKCA | P17252 | 1/20 | 0.38 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13046083 | 0.80 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL24434854 | 0.77 | TSHR (0.44) | CA1TRPA1ALDH1A1TSHRSLC6A2 | |
| Toluene SCHEMBL11768504 | 0.76 | LMNA (0.37) | TSHRKDM4EPOLBLMNA | |
| SCHEMBL6473016 | 0.76 | POLB (0.51) | CA1TRPA1ALDH1A1TSHRCA2 | |
| SCHEMBL6473019 | 0.76 | POLB (0.51) | CA1TRPA1ALDH1A1TSHRCA2 | |
| SCHEMBL5555540 | 0.74 | TRPA1 (0.42) | CA1TRPA1ALDH1A1TSHRCA2 | |
| SCHEMBL11633545 | 0.73 | KDM4E (0.47) | CA1ALDH1A1TSHRCA2CA9 | |
| SCHEMBL283052 | 0.73 | KDM4E (0.47) | CA1ALDH1A1TSHRCA2CA9 | |
| SCHEMBL28484977 | 0.73 | TSHR (0.40) | CA1TRPA1ALDH1A1TSHRCA2 | |
| SCHEMBL1356758 | 0.72 | TSHR (0.48) | CA1ALDH1A1TSHRCA2CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007121416-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007121416-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-10-25 | — | — | WO | disclosed |