Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 10/20 | 0.71 |
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | PDE5A | O76074 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | PDE1A | P54750 | 1/20 | 0.51 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.51 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.51 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.51 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL806103 | 0.87 | KDR (0.78) | KDRMAPTTP53NPSR1ALDH1A1 | |
| SCHEMBL7913338 | 0.83 | KDR (0.72) | KDRMAPTTP53NPSR1ALDH1A1 | |
| SCHEMBL31060122 | 0.83 | KDR (1.00) | KDRMAPTTP53NPSR1ALDH1A1 | |
| SCHEMBL7918584 | 0.77 | CA1 (0.62) | KDRMAPTTP53NPSR1ALDH1A1 | |
| SCHEMBL26115285 | 0.76 | MAPT (0.83) | KDRMAPTTP53NPSR1ALDH1A1 | |
| SCHEMBL806125 | 0.76 | KDR (0.72) | KDRMAPTNPSR1ALDH1A1MEN1 | |
| SCHEMBL806102 | 0.75 | KDR (0.68) | KDRMAPTTP53NPSR1ALDH1A1 | |
| SCHEMBL788057 | 0.75 | KDR (0.77) | KDRMAPTTP53NPSR1ALDH1A1 | |
| SCHEMBL788175 | 0.75 | KDR (0.78) | KDRMAPTNPSR1ALDH1A1CYP1A2 | |
| SCHEMBL7914880 | 0.74 | MAPT (0.60) | KDRMAPTTP53NPSR1ALDH1A1 |
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-2012037132-A1 | PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS | EXELIXIS, INC. (US) | 2012-03-22 | — | — | WO | disclosed |