Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | AGO2 | Q9UKV8 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL754634 | 0.76 | MAPK1 (0.42) | TSHRCYP3A4LMNACA1CA2 | |
| SCHEMBL751741 | 0.76 | CA1 (0.47) | TSHRCYP3A4CYP2C9CA1CA2 | |
| SCHEMBL754508 | 0.76 | CA2 (0.47) | CA1CA2CA12CA9CA14 | |
| SCHEMBL751562 | 0.76 | ALDH1A1 (0.50) | TSHRCYP3A4LMNACYP2C9CA1 | |
| SCHEMBL753849 | 0.75 | CA1 (0.43) | TSHRHTR6CA1CA2CA12 | |
| SCHEMBL753731 | 0.73 | ESR1 (0.45) | CA1CA2ALDH1A1 | |
| SCHEMBL12253707 | 0.67 | TSHR (0.50) | TSHRCYP3A4HTR6LMNAMPO | |
| Sulfuric Acid SCHEMBL8639733 | 0.65 | TSHR (0.48) | TSHRCYP3A4HTR6LMNAMPO | |
| Sulfuric Acid SCHEMBL28754418 | 0.65 | ALDH1A1 (0.58) | TSHRCYP3A4HTR6LMNAMPO | |
| SCHEMBL2050366 | 0.65 | MAPT (0.44) | TSHRCYP3A4HTR6LMNAMPO |
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 |
|---|---|---|---|---|---|---|---|
| EP-2213166-B1 | Biocidal compounds containing 2-methylisothiazolin-3-one and a haloalkylsulfone | THOR GMBH (DE) | 2012-03-21 | — | — | EP | claimed |