Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 3/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.31 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.31 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28273007 | 0.88 | CYP1A2 (0.31) | JAK2 | |
| SCHEMBL29355374 | 0.73 | NISCH (0.40) | — | |
| SCHEMBL29526130 | 0.72 | WDR5 (0.32) | — | |
| SCHEMBL13263242 | 0.72 | WDR5 (0.32) | — | |
| SCHEMBL29327032 | 0.69 | HTR2C (0.46) | TAAR1SMN1; SMN2 | |
| SCHEMBL28898727 | 0.69 | MAPT (0.36) | LMNAMAPK1GAA | |
| SCHEMBL13139758 | 0.69 | CHRNB4 (0.40) | TAAR1 | |
| SCHEMBL14010787 | 0.69 | MAPK14 (0.34) | SMN1; SMN2 | |
| SCHEMBL8181096 | 0.69 | SIGMAR1 (0.38) | LMNASMN1; SMN2GAA | |
| SCHEMBL787585 | 0.68 | ALDH1A1 (0.36) | — |
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-105837564-A | Pyridine-containing benzothiazepine derivatives, and preparation method and application thereof | 贵州大学 | 2016-08-10 | — | — | CN | disclosed |