Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.35 |
| ▸ | SCN4A | P35499 | 5/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.33 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.33 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.33 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.33 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.33 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.33 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.33 |
| ▸ | TNKS | O95271 | 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 | |
|---|---|---|---|---|
| SCHEMBL18536169 | 0.86 | TNKS (0.39) | PARP1BRD4CREBBPAADATL3MBTL1 | |
| SCHEMBL8035981 | 0.81 | BRD4 (0.33) | PARP1BRD4CREBBPAADATCYP2D6 | |
| SCHEMBL8035984 | 0.81 | BRD4 (0.33) | PARP1HTR2ABRD4CREBBPAADAT | |
| SCHEMBL9826077 | 0.80 | KDM4E (0.31) | ALDH1A1 | |
| SCHEMBL8036097 | 0.80 | PRKAB2 (0.41) | HTR2AAADATPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL3291231 | 0.74 | CES1 (0.30) | — | |
| SCHEMBL8042053 | 0.74 | CYP19A1 (0.43) | HTR2AMAOAMAOBTSHR | |
| SCHEMBL8042060 | 0.74 | CYP19A1 (0.43) | HTR2AMAOAMAOBTSHR | |
| SCHEMBL8038143 | 0.74 | CYP19A1 (0.43) | HTR2AMAOAMAOBTSHR | |
| SCHEMBL8038148 | 0.74 | CYP19A1 (0.43) | HTR2AMAOAMAOBTSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000076990-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2000-12-21 | — | — | WO | claimed |
| WO-2000076990-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2000-12-21 | — | — | WO | disclosed |