Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL24390041 | 0.79 | KIF11 (0.52) | TSHRALDH1A1MAPK1CA1CA2 | |
| SCHEMBL24724930 | 0.77 | ACHE (0.46) | KCNN4ALDH1A1LMNACYP2D6MAPK1 | |
| Trifluoromethylbenzene SCHEMBL1768875 | 0.76 | TSHR (0.78) | KCNN4TSHRALDH1A1LMNACYP2D6 | |
| SCHEMBL6399480 | 0.76 | TSHR (0.52) | KCNN4TSHRALDH1A1PTPN1MAPK1 | |
| SCHEMBL20487023 | 0.75 | KCNN4 (0.31) | KCNN4KIF11 | |
| SCHEMBL28382009 | 0.75 | KCNN4 (0.52) | KCNN4TSHRALDH1A1LMNACYP2D6 | |
| SCHEMBL4122475 | 0.74 | TSHR (0.50) | KCNN4TSHRALDH1A1LMNACYP2D6 | |
| SCHEMBL22200647 | 0.74 | TSHR (0.50) | KCNN4TSHRALDH1A1LMNAPTPN1 | |
| Hydrochloric Acid SCHEMBL4028283 | 0.73 | KCNN4 (0.50) | KCNN4TSHRALDH1A1LMNACYP2D6 | |
| SCHEMBL17586669 | 0.73 | KCNN4 (0.50) | KCNN4TSHRALDH1A1LMNACYP2D6 |
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-1422216-B1 | FLUORINE COMPOUND AND FLUORINATING AGENT COMPRISING THE COMPOUND | MITSUBISHI GAS CHEMICAL CO (JP) | 2009-01-07 | — | — | EP | disclosed |