Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 9/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | RARA | P10276 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | MTOR | P42345 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | TACR2 | P21452 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SHBG | P04278 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL13618274 | 1.00 | RARB (0.58) | RARBALDH1A1RARAMEN1KMT2A | |
| SCHEMBL4716336 | 0.98 | RARB (0.57) | RARBALDH1A1RARAMEN1KMT2A | |
| SCHEMBL16572248 | 0.98 | RARB (0.57) | RARBALDH1A1RARAMEN1KMT2A | |
| SCHEMBL6067892 | 0.94 | ESR1 (0.57) | ALDH1A1MEN1KMT2AHSD17B10ESR1 | |
| SCHEMBL11811560 | 0.94 | ESR1 (0.57) | ALDH1A1MEN1KMT2AHSD17B10ESR1 | |
| SCHEMBL2120077 | 0.94 | ESR1 (0.57) | ALDH1A1MEN1KMT2AHSD17B10ESR1 | |
| SCHEMBL177373 | 0.94 | ESR1 (0.57) | ALDH1A1MEN1KMT2AHSD17B10ESR1 | |
| SCHEMBL1872841 | 0.94 | ESR1 (0.57) | ALDH1A1MEN1KMT2AHSD17B10ESR1 | |
| SCHEMBL20594193 | 0.94 | ESR1 (0.57) | ALDH1A1MEN1KMT2AHSD17B10ESR1 | |
| SCHEMBL9026740 | 0.94 | ESR1 (0.57) | ALDH1A1MEN1KMT2AHSD17B10ESR1 |
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 3 patents. 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 |
| US-7351725-B2 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists | MERCK & CO., INC. (US) | 2008-04-01 | — | — | US | disclosed |
| US-7351725-B2 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists | MERCK & CO., INC. (US) | 2008-04-01 | — | — | US | disclosed |