Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.33 |
| ▸ | CCR1 | P32246 | 3/20 | 0.32 |
| ▸ | CCR2 | P41597 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 2/20 | 0.31 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27828358 | 0.84 | PKM (0.36) | PDE5ATSHRNPSR1CCR1HDAC1 | |
| SCHEMBL1349076 | 0.82 | HDAC6 (0.45) | ROCK2LMNA | |
| SCHEMBL27828433 | 0.80 | PIK3C3 (0.37) | — | |
| SCHEMBL28258134 | 0.74 | TSHR (0.40) | PDE5ATSHRNPSR1RIPK1ALDH1A1 | |
| SCHEMBL28046429 | 0.73 | DRD2 (0.42) | PDE5ATSHRNPSR1RIPK1ALDH1A1 | |
| SCHEMBL1349391 | 0.71 | HDAC1 (0.46) | PDE5AHDAC1MEN1KMT2ALMNA | |
| SCHEMBL28018947 | 0.70 | RIPK1 (0.49) | NPSR1RIPK1ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28790709 | 0.69 | HTR2C (0.38) | — | |
| SCHEMBL28018952 | 0.68 | RIPK1 (0.50) | TSHRRIPK1ROCK2MEN1KMT2A | |
| SCHEMBL1347787 | 0.67 | NR1H2 (0.49) | — |
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-102056902-B | Imidazolidine derivatives | HOFFMANN LA ROCHE | 2013-08-07 | — | — | CN | disclosed |
| CN-102056902-A | Imidazolidine derivatives | HOFFMANN LA ROCHE | 2011-05-11 | — | — | CN | disclosed |