Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | MITF | O75030 | 4/20 | 0.52 |
| ▸ | HTT | P42858 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL21349972 | 0.88 | CYP19A1 (0.58) | ALDH1A1HPGDCYP19A1CA1CA2 | |
| SCHEMBL19020467 | 0.84 | CYP19A1 (0.54) | ALDH1A1HPGDCYP19A1CA1CA2 | |
| SCHEMBL19020473 | 0.84 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP19A1CA1CA2 | |
| SCHEMBL19020555 | 0.84 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP19A1CA1CA2 | |
| SCHEMBL21350204 | 0.83 | ALDH1A1 (0.51) | ALDH1A1HPGDCYP19A1CA1CA2 | |
| SCHEMBL21350165 | 0.83 | ALDH1A1 (0.51) | ALDH1A1HPGDCYP19A1CA1CA2 | |
| SCHEMBL19020172 | 0.83 | ALDH1A1 (0.51) | ALDH1A1HPGDCYP19A1CA1CA2 | |
| SCHEMBL21350180 | 0.83 | ALDH1A1 (0.51) | ALDH1A1HPGDCYP19A1CA1CA2 | |
| SCHEMBL19020343 | 0.83 | ALDH1A1 (0.51) | ALDH1A1HPGDCYP19A1CA1CA2 | |
| SCHEMBL21350566 | 0.83 | ALDH1A1 (0.51) | ALDH1A1HPGDCYP19A1CA1CA2 |
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-2017106279-A1 | SYNTHESIS OF CYCLOHEXANE ESTER DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS | THE PROCTER & GAMBLE COMPANY (US) | 2017-06-22 | — | — | WO | disclosed |