Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 4/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | ESRRG | P62508 | 4/20 | 0.41 |
| ▸ | LSS | P48449 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | THRA | P10827 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19489497 | 0.89 | ALDH1A1 (0.55) | ALDH1A1NR1I2ESR1ESR2ESRRG | |
| SCHEMBL19486225 | 0.89 | ALDH1A1 (0.55) | ALDH1A1ESR1ESR2KDM4ESMN1; SMN2 | |
| SCHEMBL15144493 | 0.86 | ALDH1A1 (0.49) | ALDH1A1NR1I2ESR1ESR2ESRRG | |
| SCHEMBL19481632 | 0.85 | ALDH1A1 (0.48) | ALDH1A1NR1I2ESR1ESR2ESRRG | |
| SCHEMBL20203647 | 0.81 | ALDH1A1 (0.47) | ALDH1A1NR1I2ESR1ESR2ESRRG | |
| SCHEMBL15297183 | 0.76 | HPGD (0.51) | ALDH1A1KDM4ESMN1; SMN2THRANPC1 | |
| SCHEMBL6326140 | 0.76 | HRH3 (0.51) | ALDH1A1NR1I2ESR1ESR2ESRRG | |
| SCHEMBL19486489 | 0.75 | THRA (0.44) | ALDH1A1ESR1ESR2LSSTHRA | |
| SCHEMBL409427 | 0.75 | NR1I2 (0.53) | ALDH1A1NR1I2GAASMN1; SMN2CYP2D6 | |
| SCHEMBL7724232 | 0.74 | PRMT1 (0.45) | ALDH1A1SMN1; SMN2 |
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-2013110643-A1 | AMIDINE SUBSTITUTED BETA - LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS | AICURIS GMBH & CO. KG (DE) | 2013-08-01 | — | — | WO | disclosed |