Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PTGIR | P43119 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL4658162 | 0.84 | HCRTR2 (0.36) | LMNA | |
| SCHEMBL4657250 | 0.83 | LMNA (0.38) | NPC1SMN1; SMN2POLBDRD2DRD3 | |
| SCHEMBL4629499 | 0.83 | HSP90AA1 (0.39) | KMT2ASMN1; SMN2DRD2DRD3LMNA | |
| SCHEMBL4564085 | 0.83 | HSP90AA1 (0.39) | HSD11B1KMT2AMEN1PTGIRDRD2 | |
| SCHEMBL4658821 | 0.82 | HCRTR1 (0.32) | KMT2AMEN1POLBDRD2DRD3 | |
| SCHEMBL4627927 | 0.82 | ALDH1A1 (0.37) | SMN1; SMN2LMNAMAPTHTR2BCYP3A4 | |
| SCHEMBL4556263 | 0.82 | ALDH1A1 (0.37) | SMN1; SMN2LMNAMAPTHTR2BCYP3A4 | |
| SCHEMBL4564158 | 0.82 | HTR2B (0.36) | HTR2B | |
| SCHEMBL4564188 | 0.81 | LTB4R (0.34) | CYP3A4 | |
| SCHEMBL4564453 | 0.81 | HSP90AA1 (0.34) | HSD11B1KMT2AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125825-A1 | ABCA1 ELEVATING COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008079139-A1 | ABCA1 ELEVATING COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2008-07-03 | — | — | WO | disclosed |