Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.63 |
| ▸ | DRD4 | P21917 | 1/20 | 0.63 |
| ▸ | DRD3 | P35462 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 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 | |
|---|---|---|---|---|
| SCHEMBL3968181 | 0.90 | DRD2 (0.73) | DRD2DRD4DRD3PARP1PARP2 | |
| SCHEMBL27563358 | 0.90 | — | — | |
| SCHEMBL28133126 | 0.85 | DRD2 (0.63) | DRD2DRD4DRD3CHRNA7KDM4E | |
| SCHEMBL7682702 | 0.82 | DRD2 (0.64) | DRD2DRD4DRD3ALDH1A1KDM4E | |
| SCHEMBL28770942 | 0.81 | DRD2 (0.62) | DRD2DRD4DRD3ALDH1A1KDM4E | |
| SCHEMBL13375731 | 0.80 | DRD2 (0.53) | DRD2DRD4DRD3PARP1PARP2 | |
| SCHEMBL8796920 | 0.79 | DRD2 (0.60) | DRD2DRD4DRD3KMT2AALDH1A1 | |
| SCHEMBL4827267 | 0.79 | DRD2 (0.60) | DRD2DRD4DRD3PARP1PARP2 | |
| SCHEMBL14375224 | 0.79 | DRD2 (0.55) | DRD2DRD4DRD3ALDH1A1CHRNA7 | |
| SCHEMBL260734 | 0.78 | DRD2 (0.63) | DRD2DRD4DRD3KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106029097-A | Combination therapy for cancer | 伊莱利利公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-101981036-A | Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors | NOVARTIS AG | 2011-02-23 | — | — | CN | disclosed |