Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10525588 | 0.75 | IDO1 (0.42) | ALOX15IDO1ESR1ESR2KDM4E | |
| SCHEMBL2620534 | 0.74 | AMY1A (0.38) | ALOX15IDO1ESR1ESR2KDM4E | |
| SCHEMBL1765685 | 0.74 | TRPA1 (0.40) | ALOX15NQO2ESR1ESR2KDM4E | |
| SCHEMBL2620540 | 0.72 | ADRA1A (0.36) | IDO1ALDH1A1TRPA1 | |
| SCHEMBL6062069 | 0.72 | ALDH1A1 (0.41) | ALOX15NQO2ESR1ESR2KDM4E | |
| SCHEMBL12865508 | 0.72 | ALOX15 (0.39) | ALOX15NQO2ESR1ESR2KDM4E | |
| SCHEMBL5872088 | 0.72 | ALOX15 (0.39) | ALOX15NQO2ESR1ESR2KDM4E | |
| SCHEMBL29150052 | 0.71 | CXCR2 (0.39) | ALOX15IDO1KDM4EALDH1A1GAA | |
| SCHEMBL29924488 | 0.71 | CXCR2 (0.39) | ALOX15IDO1KDM4EALDH1A1GAA | |
| SCHEMBL2620532 | 0.71 | ALDH1A1 (0.36) | ALOX15IDO1ESR1ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-101511775-A | Butyl and butynyl benzyl amine compounds | JANSSEN PHARMACEUTICA NV (BE) | 2009-08-19 | — | — | CN | disclosed |