Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 2/20 | 0.50 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | PHGDH | O43175 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9106851 | 1.00 | TDP1 (0.53) | TDP1CNR2P2RX7NOTUMHTR7 | |
| SCHEMBL9106845 | 1.00 | TDP1 (0.53) | TDP1CNR2P2RX7NOTUMHTR7 | |
| SCHEMBL13284935 | 0.85 | ESR1 (0.46) | TDP1CNR2P2RX7PHGDHKMT2A | |
| SCHEMBL9101928 | 0.85 | P2RX7 (0.44) | TDP1CNR2P2RX7PHGDHCYP2C19 | |
| SCHEMBL9101917 | 0.85 | P2RX7 (0.44) | TDP1CNR2P2RX7PHGDHCYP2C19 | |
| SCHEMBL630463 | 0.85 | P2RX7 (0.51) | TDP1CNR2P2RX7NOTUMPHGDH | |
| SCHEMBL289664 | 0.85 | P2RX7 (0.51) | TDP1CNR2P2RX7NOTUMPHGDH | |
| SCHEMBL289579 | 0.85 | P2RX7 (0.51) | TDP1CNR2P2RX7NOTUMPHGDH | |
| SCHEMBL9106744 | 0.84 | TSHR (0.52) | TDP1CNR2P2RX7PHGDHKMT2A | |
| SCHEMBL9106736 | 0.84 | TSHR (0.52) | TDP1CNR2P2RX7PHGDHKMT2A |
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-109824465-B | Method for synthesizing amide by amine oxide catalyzed by bipyridine manganese catalyst | 陕西师范大学 | 2022-01-04 | — | — | CN | disclosed |