Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TERT | O14746 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL4563417 | 0.92 | ACHE (0.36) | ACHEBCHEKDM4ESMN1; SMN2LMNA | |
| SCHEMBL4629041 | 0.83 | ACHE (0.34) | ACHEBCHEKDM4ESMN1; SMN2LMNA | |
| SCHEMBL4563342 | 0.81 | PSMB5 (0.34) | ACHEBCHEKDM4ESMN1; SMN2LMNA | |
| SCHEMBL4627058 | 0.80 | KDM4E (0.34) | ACHEBCHEKDM4ESMN1; SMN2LMNA | |
| SCHEMBL4564292 | 0.78 | F2 (0.34) | KDM4ESMN1; SMN2LMNACYP3A4CYP2D6 | |
| SCHEMBL4626708 | 0.78 | MEN1 (0.35) | KDM4ETERT | |
| SCHEMBL4884510 | 0.73 | F2 (0.32) | ALDH1A1 | |
| SCHEMBL4554178 | 0.70 | IRAK4 (0.35) | KDM4ESMN1; SMN2LMNACYP3A4CYP2D6 | |
| SCHEMBL4884506 | 0.67 | ALDH1A1 (0.33) | SMN1; SMN2LMNAALDH1A1HPGDPKM | |
| SCHEMBL4555663 | 0.67 | MAPT (0.38) | KDM4ESMN1; SMN2ALDH1A1MAPK1 |
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 4 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 |
| EP-1907395-A1 | ABCA1 ELEVATING COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007002867-A1 | ABCA1 ELEVATING COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2007-01-04 | — | — | WO | disclosed |