Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17542816 | 0.94 | P2RY12 (0.37) | C5AR1MAPTSMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL28422841 | 0.89 | P2RY12 (0.38) | C5AR1MAPTSMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL17543000 | 0.89 | SMN1; SMN2 (0.38) | C5AR1MAPTSMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL17542922 | 0.89 | SMN1; SMN2 (0.37) | C5AR1MAPTSMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL17543308 | 0.87 | SMN1; SMN2 (0.36) | C5AR1MAPTSMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL17543861 | 0.87 | KCNN4 (0.36) | C5AR1MAPTSMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL17543550 | 0.87 | SMN1; SMN2 (0.36) | C5AR1MAPTSMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL17543548 | 0.86 | P2RY12 (0.38) | C5AR1MAPTSMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL17543473 | 0.86 | KCNN4 (0.35) | C5AR1MAPTSMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL17543452 | 0.86 | P2RY12 (0.40) | MAPTSMN1; SMN2CYP2C9CYP2C19P2RY12 |
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-106795117-B | Heterobicyclic compounds and their use for the treatment of tuberculosis | 大塚制药株式会社 | 2020-06-26 | — | — | CN | disclosed |