Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MPI | P34949 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | HRH2 | P25021 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4741268 | 0.86 | TYMS (0.57) | TYMSKDM4EALDH1A1MAPTMPI | |
| SCHEMBL4741122 | 0.84 | TYMS (0.55) | TYMSKDM4EALDH1A1MAPTMPI | |
| SCHEMBL4741223 | 0.77 | TYMS (0.62) | TYMSKDM4EALDH1A1MAPTMPI | |
| SCHEMBL4741224 | 0.73 | HRH3 (0.53) | TYMSKDM4EALDH1A1MAPTHTT | |
| SCHEMBL4740434 | 0.71 | ADORA2A (0.51) | TYMSKDM4EALDH1A1MAPTHTT | |
| SCHEMBL4787478 | 0.70 | TYMS (0.49) | TYMSKDM4EALDH1A1MAPTMPI | |
| SCHEMBL4741749 | 0.69 | NPY5R (0.50) | TYMSKDM4EALDH1A1MAPTMPI | |
| SCHEMBL6652286 | 0.68 | TYMS (1.00) | TYMS | |
| SCHEMBL7000669 | 0.67 | KDM4E (0.80) | TYMSKDM4EALDH1A1MAPTMPI | |
| Hydrochloric Acid SCHEMBL6844303 | 0.67 | TYMS (0.98) | TYMS |
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-2008086158-A1 | BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-07-17 | — | — | WO | disclosed |
| WO-2008086158-A1 | BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-07-17 | — | — | WO | disclosed |