Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4667972 | 0.85 | ESR1 (0.49) | ESR1ALOX5GABRA1GABRB2ESR2 | |
| SCHEMBL5048730 | 0.70 | ESR1 (0.49) | ESR1HPGDESR2TSHRCYP19A1 | |
| SCHEMBL3073638 | 0.68 | TAAR1 (0.55) | ALDH1A1 | |
| SCHEMBL3817125 | 0.66 | ESR1 (0.54) | GAAESR1HPGDESR2TSHR | |
| SCHEMBL4896555 | 0.66 | ESR1 (0.54) | GAAESR1ESR2CYP19A1 | |
| SCHEMBL5052671 | 0.64 | ESR1 (0.51) | ALDH1A1MEN1KMT2AESR1ESR2 | |
| SCHEMBL4666434 | 0.64 | ESR1 (0.51) | ESR1ESR2CYP19A1 | |
| SCHEMBL4668900 | 0.62 | ESR1 (0.55) | ESR1ESR2CYP19A1 | |
| SCHEMBL9190330 | 0.60 | TAAR1 (0.64) | ALDH1A1MAPTGAA | |
| SCHEMBL4668880 | 0.60 | CYP19A1 (0.50) | ALDH1A1MAPTMEN1KMT2AESR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1951216-A2 | CHEMICAL COMPOUNDS | SmithKline Beecham Corporation (US) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007062145-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-31 | — | — | WO | disclosed |