Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD5 | P21918 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28258134 | 0.88 | TSHR (0.40) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL27682015 | 0.84 | RIPK1 (0.39) | DRD2RIPK1NAMPTKCNQ2QDPR | |
| SCHEMBL27629058 | 0.83 | NAMPT (0.41) | RIPK1ALDH1A1NAMPTPOLBQDPR | |
| SCHEMBL27488566 | 0.83 | RIPK1 (0.51) | DRD2RIPK1HRH3ALDH1A1NAMPT | |
| SCHEMBL28017548 | 0.83 | DRD2 (0.54) | DRD2TSHRALDH1A1LMNAKDM4E | |
| SCHEMBL27635041 | 0.81 | DRD3 (0.49) | DRD2DRD3TSHRNPSR1 | |
| SCHEMBL30014833 | 0.81 | NAMPT (0.53) | NAMPTKDM4E | |
| SCHEMBL1427529 | 0.81 | NAMPT (0.53) | NAMPTKDM4E | |
| SCHEMBL28059420 | 0.80 | LMNA (0.46) | ALDH1A1LMNARECQL | |
| SCHEMBL27724744 | 0.80 | HDAC1 (0.38) | RIPK1HDAC4NAMPTQDPR |
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 |
|---|---|---|---|---|---|---|---|
| CN-105209457-A | Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBVIE DEUTSCHLAND | 2015-12-30 | — | — | CN | disclosed |