Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.31 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MPI | P34949 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.30 |
| ▸ | TRIM33 | Q9UPN9 | 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 | |
|---|---|---|---|---|
| SCHEMBL29953076 | 0.77 | MEN1 (0.36) | ALDH1A1TSHRCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22174810 | 0.77 | CYP1A2 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5677080 | 0.74 | JUN (0.42) | ALDH1A1TSHRCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13061190 | 0.74 | ALDH1A1 (0.32) | ALDH1A1TSHRCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14320248 | 0.74 | RXFP1 (0.39) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8597404 | 0.72 | — | — | |
| SCHEMBL22872045 | 0.72 | — | — | |
| SCHEMBL10811677 | 0.71 | AHR (0.43) | ALDH1A1KDM4EMEN1KMT2ALMNA | |
| SCHEMBL20488258 | 0.69 | JUN (0.35) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL22678147 | 0.68 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009097490-A1 | 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH (US) | 2009-08-06 | — | — | WO | disclosed |