Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | STS | P08842 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10389057 | 0.92 | ALDH1A1 (0.50) | ALDH1A1CYP2A6SMN1; SMN2MAPTHPGD | |
| SCHEMBL24973109 | 0.81 | MEN1 (0.39) | ALDH1A1SMN1; SMN2MAPTHPGDKMT2A | |
| SCHEMBL13703536 | 0.80 | TSHR (0.40) | ALDH1A1SMN1; SMN2MAPTHPGDKMT2A | |
| SCHEMBL6856797 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP2A6SMN1; SMN2MAPTHPGD | |
| SCHEMBL4946530 | 0.78 | CYP2A6 (0.52) | ALDH1A1CYP2A6HPGDALDH1A3ALDH3A1 | |
| SCHEMBL6854404 | 0.78 | CYP2A6 (0.52) | ALDH1A1CYP2A6HPGDALDH1A3ALDH3A1 | |
| SCHEMBL18854904 | 0.78 | ALDH1A1 (0.73) | ALDH1A1CYP2A6MAPTLMNAALDH1A3 | |
| SCHEMBL21186710 | 0.77 | CYP2A6 (0.39) | ALDH1A1CYP2A6SMN1; SMN2MAPTHPGD | |
| SCHEMBL133972 | 0.76 | TSHR (0.41) | ALDH1A1MAPTLMNAKMT2ATSHR | |
| SCHEMBL14533677 | 0.76 | LMNA (0.44) | ALDH1A1SMN1; SMN2MAPTLMNAKMT2A |
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-3052547-B1 | POLYDIORGANOSILOXANE-POLYCARBONATE BLOCK COPOLYMERS | SABIC GLOBAL TECHNOLOGIES BV (NL) | 2017-08-09 | — | — | EP | disclosed |