Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 5/20 | 0.49 |
| ▸ | THRB | P10828 | 5/20 | 0.49 |
| ▸ | S1PR2 | O95136 | 7/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 7/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.43 |
| ▸ | LPAR2 | Q9HBW0 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3903040 | 0.91 | THRA (0.57) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL8035224 | 0.89 | THRA (0.51) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL15498120 | 0.84 | THRB (0.44) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL3906365 | 0.83 | ALDH1A1 (0.60) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL14195848 | 0.83 | ALDH1A1 (0.60) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL14195849 | 0.83 | ALDH1A1 (0.60) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL14195841 | 0.83 | ALDH1A1 (0.62) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL14195854 | 0.83 | ALDH1A1 (0.60) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL14195852 | 0.83 | ALDH1A1 (0.60) | THRATHRBS1PR2S1PR1S1PR3 | |
| SCHEMBL9360147 | 0.83 | ALDH1A1 (0.60) | THRATHRBS1PR2S1PR1S1PR3 |
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 |