Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.43 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | ADK | P55263 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | F2RL1 | P55085 | 3/20 | 0.38 |
| ▸ | USP1 | O94782 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2821845 | 0.95 | TAAR1 (0.54) | TAAR1ADRA2AADRA2CADRA2BNISCH | |
| SCHEMBL28766423 | 0.93 | TAAR1 (0.50) | TAAR1ADRA2AADRA2CADRA2BNISCH | |
| Hydrochloric Acid SCHEMBL28055288 | 0.93 | TAAR1 (0.53) | TAAR1ADRA2AADRA2CADRA2BNISCH | |
| Bromide SCHEMBL31606836 | 0.93 | TAAR1 (0.53) | TAAR1ADRA2AADRA2CADRA2BNISCH | |
| SCHEMBL19769010 | 0.84 | TAAR1 (0.48) | TAAR1ADRA2AADRA2CADRA2BNISCH | |
| SCHEMBL8043932 | 0.76 | ADRA2A (0.49) | TAAR1ADRA2AADRA2CADRA2BNISCH | |
| SCHEMBL27733927 | 0.75 | TAAR1 (0.49) | TAAR1ADRA2AADRA2CADRA2BNISCH | |
| SCHEMBL27740794 | 0.75 | GABRA1 (0.41) | TAAR1ADRA2AADRA2CADRA2BNISCH | |
| SCHEMBL27740792 | 0.75 | GABRA1 (0.41) | TAAR1ADRA2AADRA2CADRA2BNISCH | |
| SCHEMBL20150086 | 0.72 | TAAR1 (0.46) | TAAR1ADRA2AADRA2CADRA2BNISCH |
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 |
|---|---|---|---|---|---|---|---|
| CN-105085129-A | Compound containing difluromethylation and preparation method therefor | SHANGHAI INST ORGANIC CHEM | 2015-11-25 | — | — | CN | claimed |
| CN-105085129-A | Compound containing difluromethylation and preparation method therefor | SHANGHAI INST ORGANIC CHEM | 2015-11-25 | — | — | CN | disclosed |