Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL230341 | 1.00 | HTR2C (0.46) | HTR2CHTR2AKCNH2SGPL1HDAC8 | |
| SCHEMBL1028259 | 1.00 | HTR2C (0.46) | HTR2CHTR2AKCNH2SGPL1HDAC8 | |
| Hydrochloric Acid SCHEMBL28966672 | 0.99 | HTR2C (0.45) | HTR2CHTR2AKCNH2SGPL1HDAC8 | |
| Hydrochloric Acid SCHEMBL28966675 | 0.99 | HTR2C (0.45) | HTR2CHTR2AKCNH2SGPL1HDAC8 | |
| Tert-Butyl Formate SCHEMBL27747676 | 0.89 | HTR2C (0.46) | HTR2CHTR2AKCNH2SGPL1HDAC8 | |
| SCHEMBL17128127 | 0.85 | HTR2C (0.39) | HTR2CHTR2AKCNH2HDAC8HDAC6 | |
| SCHEMBL17519369 | 0.83 | NR1H2 (0.49) | HTR2CHTR2AHDAC8HDAC6HDAC1 | |
| Hydrochloric Acid SCHEMBL28982903 | 0.83 | KDM4E (0.41) | HTR2CHTR2AHDAC8HDAC6HDAC1 | |
| SCHEMBL21336969 | 0.82 | HTR2C (0.39) | HTR2CHTR2AKCNH2HDAC8HDAC6 | |
| SCHEMBL23744328 | 0.82 | ROCK2 (0.43) | HTR2CHTR2AKCNH2CXCR3HTR2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007076318-A2 | CAMPHOR-DERIVED CXCR3 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-07-05 | — | — | WO | disclosed |