Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NSD2 | O96028 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 1/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CPT2 | P23786 | 1/20 | 0.43 |
| ▸ | CPT1A | P50416 | 1/20 | 0.43 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3680955 | 0.90 | TSHR (0.59) | PLA2G4BTSHRCYP2D6SMPD1 | |
| SCHEMBL3687411 | 0.89 | TSHR (0.61) | PLA2G4BTSHRCYP2D6SMPD1KDM4E | |
| SCHEMBL25822245 | 0.81 | HTR1B (0.59) | PLA2G4BTSHRCYP2D6SMPD1KDM4E | |
| SCHEMBL7345998 | 0.81 | TLR4 (0.52) | PLA2G4BTSHRCYP2D6KMT2AL3MBTL1 | |
| SCHEMBL20322572 | 0.80 | CYP1A2 (0.60) | TSHRCYP2D6KDM4EKMT2ANSD2 | |
| SCHEMBL7350183 | 0.78 | PPARA (0.62) | CYP2D6KCNH2 | |
| SCHEMBL5257651 | 0.78 | PPARA (0.58) | PLA2G4BTSHRCYP2D6KCNH2 | |
| SCHEMBL7351935 | 0.78 | NR5A1 (0.59) | PLA2G4BTSHR | |
| SCHEMBL6677146 | 0.78 | TSHR (0.76) | PLA2G4BTSHRSMPD1 | |
| SCHEMBL4208924 | 0.78 | TSHR (0.76) | PLA2G4BTSHRSMPD1 |
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-2008109991-A1 | INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER | UNIVERSITY HEALTH NETWORK (CA) | 2008-09-18 | — | — | WO | disclosed |