Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 3/20 | 0.34 |
| ▸ | STS | P08842 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1365698 | 0.76 | CA2 (0.47) | CA2AKR1C3HTR6MEN1ALDH1A1 | |
| SCHEMBL27798617 | 0.69 | STS (0.43) | CYP2B6CA2STSCYP1A1CYP1A2 | |
| SCHEMBL31700562 | 0.69 | STS (0.50) | CYP2B6CA2STSMEN1KMT2A | |
| SCHEMBL5336264 | 0.69 | STS (0.50) | CYP2B6CA2STSMEN1KMT2A | |
| SCHEMBL11506043 | 0.69 | STS (0.43) | CYP2B6CA2STSCYP1A1CYP1A2 | |
| SCHEMBL4739311 | 0.69 | STS (0.43) | CYP2B6CA2STSCYP1A2CYP1B1 | |
| SCHEMBL4672085 | 0.67 | CA2 (0.49) | CA2 | |
| SCHEMBL6591026 | 0.67 | CA2 (0.56) | CA2STSHTR6 | |
| SCHEMBL6464770 | 0.67 | CA2 (0.49) | CA2TSHR | |
| SCHEMBL18598544 | 0.67 | CYP2B6 (0.41) | CYP2B6CYP1A1CYP1A2CYP1B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7381728-B2 | Piperazine derivatives useful for the treatment of gastrointestinal disorders | GLAXO GROUP LIMITED (GB) | 2008-06-03 | — | — | US | disclosed |