Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL27531861 | 0.77 | TRPA1 (0.51) | SLC6A2TAAR1CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL27704796 | 0.75 | KDM4E (0.42) | TAAR1CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL26093098 | 0.71 | SLC6A2 (0.44) | SLC6A2TAAR1CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL26093126 | 0.71 | SLC6A2 (0.44) | SLC6A2TAAR1CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL11599873 | 0.71 | MAOB (0.61) | TSHRMAOBTDP1 | |
| SCHEMBL11599869 | 0.71 | MAOB (0.61) | TSHRMAOBTDP1 | |
| SCHEMBL342672 | 0.69 | SLC6A2 (0.45) | SLC6A2TAAR1CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL16653316 | 0.68 | GPR52 (0.50) | TSHRTDP1 | |
| SCHEMBL8512519 | 0.68 | GPR52 (0.50) | TSHRTDP1 | |
| SCHEMBL11253562 | 0.68 | SLC6A2 (0.48) | SLC6A2TAAR1CYP2C19CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101128528-A | Fluorinated compounds | CIBA SC HOLDING AG (CH) | 2008-02-20 | — | — | CN | disclosed |