Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.38 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1639714 | 0.87 | GAA (0.48) | TP53GAAKDM4ENPC1SMN1; SMN2 | |
| SCHEMBL1640093 | 0.78 | P2RY12 (0.44) | TP53GAAKDM4ENPC1SMN1; SMN2 | |
| SCHEMBL1639024 | 0.76 | P2RY12 (0.37) | TP53GAAKDM4ENPC1SMN1; SMN2 | |
| SCHEMBL3834826 | 0.76 | F10 (0.34) | GAA | |
| SCHEMBL3834891 | 0.75 | GAA (0.38) | TP53GAAKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL6983353 | 0.74 | TP53 (0.58) | TP53GAAKDM4ENPC1SMN1; SMN2 | |
| SCHEMBL3838454 | 0.74 | P2RY12 (0.54) | TP53GAAKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL6982187 | 0.74 | GAA (0.59) | TP53GAAKDM4ENPC1SMN1; SMN2 | |
| SCHEMBL1640201 | 0.73 | P2RY12 (0.68) | TP53KDM4ESMN1; SMN2HSD17B10ALDH1A1 | |
| SCHEMBL1640664 | 0.73 | SMN1; SMN2 (0.38) | TP53GAAKDM4ENPC1SMN1; SMN2 |
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-2094272-A2 | NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS | Portola Pharmaceuticals, Inc. (US) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008036843-A2 | NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS | PORTOLA PHARMACEUTICALS, INC. (US) | 2008-03-27 | — | — | WO | disclosed |