Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.58 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | ABAT | P80404 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | BCR | P11274 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL883392 | 0.92 | — | — | |
| SCHEMBL679626 | 0.86 | TSHR (0.56) | ESR1ESR2ALDH1A1TRPA1TSHR | |
| SCHEMBL9609757 | 0.86 | TSHR (0.56) | ESR1ESR2ALDH1A1TRPA1TSHR | |
| SCHEMBL11466312 | 0.84 | ESR1 (0.74) | ESR1ESR2ABATKMT2ACA2 | |
| Methane SCHEMBL11480910 | 0.83 | TSHR (0.53) | ESR1ESR2ALDH1A1TRPA1TSHR | |
| Water SCHEMBL11481683 | 0.83 | TSHR (0.53) | ESR1ESR2ALDH1A1TRPA1TSHR | |
| Acetic Acid SCHEMBL906953 | 0.78 | CA2 (0.52) | ESR1ESR2ABATKMT2ACA2 | |
| SCHEMBL833872 | 0.78 | ESR1 (0.82) | ESR1ESR2MMP3BCL2L1ABAT | |
| SCHEMBL10049247 | 0.78 | TRPA1 (0.48) | ESR1ESR2ABL1ABCB1BCR | |
| SCHEMBL22451383 | 0.78 | ESR1 (0.82) | ESR1ESR2MMP3BCL2L1ABAT |
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-2002044128-A2 | SALICYLATE ANALOGS AS INTERLEUKIN-4 ANTAGONISTS | SUNESIS PHARMACEUTICALS, INC. (US) | 2002-06-06 | — | — | WO | disclosed |