Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 7/20 | 0.38 |
| ▸ | CA1 | P00915 | 7/20 | 0.38 |
| ▸ | CA2 | P00918 | 7/20 | 0.38 |
| ▸ | CA9 | Q16790 | 7/20 | 0.38 |
| ▸ | CA7 | P43166 | 6/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9678131 | 0.83 | TSHR (0.46) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL454299 | 0.81 | TSHR (0.43) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL5824309 | 0.81 | TSHR (0.43) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL8024485 | 0.79 | TSHR (0.42) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL8667150 | 0.79 | TSHR (0.42) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL2478389 | 0.74 | TSHR (0.48) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL6063978 | 0.74 | TSHR (0.48) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL20564587 | 0.74 | TSHR (0.48) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL13944018 | 0.74 | MEN1 (0.38) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL1707076 | 0.72 | TSHR (0.46) | TSHRMEN1KMT2ACA12CA1 |
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-111116475-A | Synthesis method of α dibromide of α -heterocyclic carbonyl compound | 中国药科大学 | 2020-05-08 | — | — | CN | disclosed |