Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 5/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4815082 | 0.78 | MAPT (0.48) | NOTUMMAPTKDM4EMEN1KMT2A | |
| SCHEMBL29519324 | 0.68 | MAPT (0.54) | CHEK2MAPTHSD17B10CYP3A4TSHR | |
| SCHEMBL27418511 | 0.68 | MAPT (0.54) | CHEK2MAPTHSD17B10CYP3A4TSHR | |
| SCHEMBL29518466 | 0.65 | GRM1 (0.60) | CHEK2MAPTKDM4ETP53MAPK1 | |
| SCHEMBL22690048 | 0.65 | GRM1 (0.60) | CHEK2MAPTKDM4ETP53MAPK1 | |
| SCHEMBL31095778 | 0.63 | LCK (0.49) | CHEK2MAPTMEN1KMT2ACYP2C9 | |
| SCHEMBL19001285 | 0.63 | HPGD (0.76) | CHEK2MAPTKDM4EKMT2ACYP3A4 | |
| SCHEMBL9780137 | 0.62 | PDE3A (0.40) | NOTUMKDRCA12CA1CA2 | |
| SCHEMBL24976060 | 0.62 | DHFR (0.44) | MAPTKDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL31429033 | 0.62 | DHFR (0.44) | MAPTKDM4EMEN1KMT2AALDH1A1 |
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 |