Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | BDKRB2 | P30411 | 4/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TYR | P14679 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21142262 | 0.83 | BDKRB2 (0.40) | BDKRB2HTR2AALOX15HTTRARB | |
| SCHEMBL23030401 | 0.81 | BDKRB2 (0.41) | BDKRB2ALOX5MAPTHTTPTGES | |
| SCHEMBL12413796 | 0.78 | GABRA1 (0.44) | S1PR1MAPTPPARGLMNAXBP1 | |
| SCHEMBL13003900 | 0.75 | LMNA (0.33) | S1PR1ALOX5MAPTHTR2AMEN1 | |
| SCHEMBL9399139 | 0.74 | TYR (0.49) | S1PR1ALOX5MAPTTYRHTR2A | |
| SCHEMBL9399279 | 0.74 | S1PR1 (0.51) | S1PR1ALOX5MAPTTYRHTR2A | |
| SCHEMBL18364561 | 0.74 | S1PR1 (0.51) | S1PR1ALOX5MAPTTYRHTR2A | |
| SCHEMBL21141855 | 0.74 | IDO1 (0.39) | ALOX5MAPTTYRMEN1TP53 | |
| SCHEMBL7654059 | 0.73 | TAAR1 (0.40) | S1PR1ALOX5MAPTHTR2ATP53 | |
| SCHEMBL15736896 | 0.73 | BDKRB2 (0.52) | BDKRB2CYP3A4TSHRTDP1 |
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-2010149684-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-12-29 | — | — | WO | disclosed |