Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL788348 | 0.83 | KDR (0.63) | KDRALDH1A1TP53MAPTL3MBTL1 | |
| SCHEMBL787685 | 0.82 | MAPK1 (0.47) | MAPK1KDRALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL787767 | 0.81 | MAPK1 (0.51) | MAPK1KDRAKR1C3AKR1C2TP53 | |
| SCHEMBL787471 | 0.77 | KDR (0.51) | KDRKDM4ETP53MAPT | |
| SCHEMBL788156 | 0.76 | KDR (0.67) | KDRALDH1A1TP53MAPTL3MBTL1 | |
| SCHEMBL787451 | 0.69 | AURKA (0.51) | ALDH1A1SMN1; SMN2AKR1C3AKR1C2MAPT | |
| SCHEMBL9695073 | 0.68 | RARB (0.56) | MAPK1ALDH1A1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL1696378 | 0.68 | CYP4F2 (0.76) | ALDH1A1HPGDSMN1; SMN2KDM4EMAPT | |
| SCHEMBL806103 | 0.67 | KDR (0.78) | KDRALDH1A1HPGDSMN1; SMN2TP53 | |
| SCHEMBL806125 | 0.67 | KDR (0.72) | KDRALDH1A1MAPT |
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-2616443-A1 | PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS | Exelixis, Inc. (US) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012037132-A1 | PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS | EXELIXIS, INC. (US) | 2012-03-22 | — | — | WO | disclosed |