Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 2/20 | 0.78 |
| ▸ | RXRB | P28702 | 2/20 | 0.78 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.70 |
| ▸ | RARB | P10826 | 4/20 | 0.58 |
| ▸ | BCL2 | P10415 | 1/20 | 0.57 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.57 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.56 |
| ▸ | FABP1 | P07148 | 1/20 | 0.56 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10611011 | 0.90 | RARB (0.74) | RXRARXRBKMT2ARARBNR1H4 | |
| SCHEMBL18314425 | 0.88 | RXRA (1.00) | RXRARXRBKMT2ABCL2SLC13A5 | |
| SCHEMBL4758879 | 0.88 | RXRA (1.00) | RXRARXRBKMT2ABCL2SLC13A5 | |
| SCHEMBL17547218 | 0.85 | RARB (0.76) | RXRARXRBRARBNR1H4PTPN11 | |
| SCHEMBL1365365 | 0.85 | RXRA (0.68) | RXRARXRBKMT2ABCL2MRGPRX4 | |
| SCHEMBL4060096 | 0.84 | RARB (0.79) | RARBPKMTP53TSHR | |
| SCHEMBL15473215 | 0.84 | KMT2A (0.57) | RXRARXRBKMT2ASLC13A5FABP1 | |
| SCHEMBL7225276 | 0.83 | RXRA (0.67) | RXRARXRBKMT2ABCL2ROCK2 | |
| SCHEMBL609434 | 0.83 | KMT2A (1.00) | KMT2ANR1H4PTPN11 | |
| SCHEMBL7789712 | 0.82 | RXRA (0.74) | RXRARXRBKMT2ABCL2MRGPRX4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140072-B1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2004-04-14 | — | — | EP | disclosed |
| EP-1140072-A4 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2003-04-16 | — | — | EP | disclosed |
| EP-1140072-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040239-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-07-13 | — | — | WO | disclosed |