Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 7/20 | 0.47 |
| ▸ | RXRB | P28702 | 6/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RXRG | P48443 | 2/20 | 0.40 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | RARA | P10276 | 1/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.37 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | FABP1 | P07148 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13893312 | 0.81 | CYP2A6 (0.41) | ALDH1A1SMN1; SMN2KDM4EMAPTHPGD | |
| SCHEMBL13893313 | 0.81 | CYP2A6 (0.41) | ALDH1A1SMN1; SMN2KDM4EMAPTHPGD | |
| SCHEMBL10048520 | 0.78 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2SRD5A2PDE5AGAA | |
| SCHEMBL16103355 | 0.76 | RXRA (0.77) | RXRARXRBDHODHALDH1A1SMN1; SMN2 | |
| SCHEMBL12446320 | 0.76 | RXRA (0.77) | RXRARXRBDHODHALDH1A1SMN1; SMN2 | |
| SCHEMBL18542044 | 0.72 | RXRA (0.39) | RXRARXRBRXRGP2RY14SRD5A2 | |
| SCHEMBL15132362 | 0.71 | EGFR (0.70) | RXRARXRBDHODHALDH1A1SMN1; SMN2 | |
| SCHEMBL14456579 | 0.71 | LMNA (0.31) | — | |
| SCHEMBL13888048 | 0.71 | ALDH1A1 (0.85) | RXRARXRBALDH1A1SMN1; SMN2SRD5A2 | |
| SCHEMBL308875 | 0.71 | ALDH1A1 (0.85) | RXRARXRBALDH1A1SMN1; SMN2SRD5A2 |
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-2009149381-A2 | CHEMICAL FRAMEWORK COMPOSITIONS AND METHODS OF USE | THE REGENTS OF UNIVERSITY OF CALIFORNIA (US) | 2009-12-10 | — | — | WO | disclosed |