Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.47 |
| ▸ | ARG1 | P05089 | 1/20 | 0.46 |
| ▸ | ARG2 | P78540 | 1/20 | 0.46 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | GRM6 | O15303 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3259925 | 1.00 | S1PR1 (0.47) | S1PR1S1PR5ARG1ARG2FUCA1 | |
| SCHEMBL4487651 | 1.00 | S1PR1 (0.47) | S1PR1S1PR5ARG1ARG2FUCA1 | |
| Hydrochloric Acid SCHEMBL15312500 | 0.98 | BCHE (0.46) | S1PR1S1PR5ARG1ARG2FUCA1 | |
| SCHEMBL6007973 | 0.85 | GRM2 (0.47) | S1PR1S1PR5ARG1ARG2ACHE | |
| SCHEMBL6007978 | 0.85 | GRM2 (0.47) | S1PR1S1PR5ARG1ARG2ACHE | |
| SCHEMBL18428222 | 0.85 | ARG1 (0.44) | S1PR1S1PR5ARG1ARG2FUCA1 | |
| SCHEMBL15416062 | 0.85 | CYP2D6 (0.44) | S1PR1S1PR5BCHEACHEALDH1A1 | |
| SCHEMBL5455516 | 0.83 | ALDH1A1 (0.43) | S1PR1S1PR5ARG1ARG2FUCA1 | |
| SCHEMBL5650132 | 0.83 | ALDH1A1 (0.43) | S1PR1S1PR5ARG1ARG2FUCA1 | |
| SCHEMBL3228019 | 0.83 | CYP3A4 (0.49) | ALDH1A1MEN1KMT2ALMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010007032-A1 | PIPERIDINE BASED UREAS AS NK1 ANTAGONISTS | GLAXO WELLCOME MANUFACTURING PTE LTD (SG) | 2010-01-21 | — | — | WO | disclosed |