Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | DRD3 | P35462 | 5/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.44 |
| ▸ | DRD5 | P21918 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL9550540 | 0.81 | ALDH1A1 (0.51) | ALDH1A1DRD3DRD2DRD5SIGMAR1 | |
| SCHEMBL28221314 | 0.72 | NPC1 (0.62) | ALDH1A1DRD3DRD2DRD5KCNH2 | |
| SCHEMBL30910319 | 0.72 | NPC1 (0.62) | ALDH1A1DRD3DRD2DRD5KCNH2 | |
| SCHEMBL788171 | 0.68 | ALDH1A1 (0.40) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL29042387 | 0.68 | ALDH1A1 (0.44) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL28131941 | 0.66 | ALDH1A1 (0.51) | ALDH1A1DRD3DRD2SIGMAR1HTR3E | |
| Bromide SCHEMBL15365106 | 0.66 | ALDH1A1 (0.61) | ALDH1A1DRD3DRD2DRD5SIGMAR1 | |
| SCHEMBL10539432 | 0.66 | ALDH1A1 (0.79) | ALDH1A1DRD3DRD2DRD5SIGMAR1 | |
| SCHEMBL22163698 | 0.64 | ALDH1A1 (0.50) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL11753893 | 0.64 | MEN1 (0.54) | ALDH1A1HPGDALOX5 |
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 |