Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.33 |
| ▸ | RELA | Q04206 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | JUN | P05412 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL15365106 | 0.74 | ALDH1A1 (0.61) | ALDH1A1DRD2DRD3DRD5MAPT | |
| SCHEMBL794524 | 0.69 | FGFR1 (0.34) | ALDH1A1 | |
| SCHEMBL17559143 | 0.66 | HSD11B1 (0.40) | ALDH1A1DRD3MAPTNFKB1NFKB2 | |
| SCHEMBL28869470 | 0.63 | THRB (0.42) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL28221314 | 0.63 | NPC1 (0.62) | ALDH1A1DRD2DRD3DRD5MAPT | |
| SCHEMBL30910319 | 0.63 | NPC1 (0.62) | ALDH1A1DRD2DRD3DRD5MAPT | |
| SCHEMBL28412512 | 0.62 | ALDH1A1 (0.56) | ALDH1A1DRD2DRD3ALOX5PTGS1 | |
| SCHEMBL10729758 | 0.62 | JUN (0.52) | NFKB1NFKB2RELAJUN | |
| SCHEMBL788017 | 0.61 | ALDH1A1 (0.55) | ALDH1A1DRD2DRD3DRD5ALOX5 | |
| SCHEMBL10592707 | 0.61 | MAT2A (0.39) | ALDH1A1PTGS1PTGS2GAAHSD11B1 |
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 |