Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9143231 | 0.79 | KMT2A (0.56) | ESR1BACE1KMT2ATSHRTDP1 | |
| SCHEMBL22138544 | 0.78 | L3MBTL1 (0.43) | KMT2ATP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9763250 | 0.78 | ESR1 (0.60) | ESR1KMT2ATP53DRD2DRD4 | |
| SCHEMBL9146021 | 0.74 | SMN1; SMN2 (0.62) | ESR1KMT2ATP53DRD2DRD4 | |
| SCHEMBL9618466 | 0.72 | TP53 (0.69) | ESR1KMT2ATP53CYP1A2CYP2D6 | |
| SCHEMBL9145426 | 0.72 | ALDH1A1 (0.46) | ESR1KMT2ATP53TSHRDRD2 | |
| SCHEMBL9618169 | 0.71 | LMNA (0.58) | ESR1KMT2ATDP1S1PR1ALDH1A1 | |
| SCHEMBL10881433 | 0.71 | KMT2A (0.52) | ESR1BACE1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL12968231 | 0.70 | GLA (0.49) | BACE1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10881356 | 0.69 | KMT2A (0.54) | BACE1KMT2ACYP1A2CYP2D6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| JP-5058969-A | — | — | None | — | — | JP | disclosed |
| JP-H0558969-A | PHENOXYETHYLAMINE AND AGRICULTURAL/HORTICULTURAL BACTERICIDE | MITSUBISHI GAS CHEM CO INC | 1993-03-09 | — | — | JP | disclosed |