Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 12/20 | 0.54 |
| ▸ | S1PR3 | Q99500 | 12/20 | 0.54 |
| ▸ | S1PR2 | O95136 | 10/20 | 0.54 |
| ▸ | LPAR2 | Q9HBW0 | 5/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14232474 | 0.75 | THRA (0.45) | S1PR1S1PR3S1PR4S1PR5THRA | |
| SCHEMBL28032480 | 0.75 | THRA (0.61) | LMNACHRM2THRATHRB | |
| SCHEMBL10748421 | 0.74 | HRH4 (0.84) | S1PR1S1PR3S1PR2LPAR2HRH4 | |
| SCHEMBL10747074 | 0.74 | HRH4 (0.84) | S1PR1S1PR3S1PR2LPAR2HRH4 | |
| SCHEMBL9259496 | 0.74 | HRH4 (0.84) | S1PR1S1PR3S1PR2LPAR2HRH4 | |
| SCHEMBL9637156 | 0.74 | HRH4 (0.84) | S1PR1S1PR3S1PR2LPAR2HRH4 | |
| SCHEMBL8056518 | 0.72 | CES2 (0.58) | LMNA | |
| SCHEMBL363636 | 0.72 | CES2 (0.58) | LMNA | |
| SCHEMBL11411922 | 0.72 | CES2 (0.58) | LMNA | |
| SCHEMBL398307 | 0.72 | CES2 (0.58) | LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1575964-B1 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-11-11 | — | — | EP | disclosed |