Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 3/20 | 0.42 |
| ▸ | THRA | P10827 | 2/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28847327 | 0.85 | THRB (0.59) | ZDHHC2THRBTHRASLC2A1MEN1 | |
| SCHEMBL13784556 | 0.79 | THRB (0.58) | THRBTHRAMEN1KMT2ATDP1 | |
| SCHEMBL1855881 | 0.78 | ESR1 (0.37) | THRBTHRATDP1ALDH1A1MGLL | |
| SCHEMBL1855877 | 0.78 | ESR1 (0.37) | THRBTHRATDP1ALDH1A1MGLL | |
| SCHEMBL9842852 | 0.78 | THRA (0.44) | ZDHHC2THRBTHRAMEN1KMT2A | |
| SCHEMBL9842860 | 0.78 | THRA (0.44) | ZDHHC2THRBTHRAMEN1KMT2A | |
| SCHEMBL8522278 | 0.77 | THRB (0.68) | THRBTHRAMEN1KMT2ATDP1 | |
| SCHEMBL5297320 | 0.77 | THRB (0.68) | THRBTHRAMEN1KMT2ATDP1 | |
| SCHEMBL27686380 | 0.77 | TDP1 (0.37) | KMT2ATDP1ALDH1A1ESR1 | |
| SCHEMBL13784557 | 0.77 | LMNA (0.46) | MEN1KMT2ATDP1ALDH1A1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107422054-A | One detection method for growing tobacco middle nitre benzene bacterium ester residual quantity | 云南省烟草农业科学研究院 | 2017-12-01 | — | — | CN | disclosed |
| US-4997973-A | Ortho-substituted benzyl carboxylates and fungicides containing these compounds | BASF AKTIENGESELLSCHAFT (DE) | 1991-03-05 | — | — | US | disclosed |
| US-4723034-A | Stilbene derivatives, and fungicides which contain these compounds | BASF AKTIENGESELLSCHAFT (DE) | 1988-02-02 | — | — | US | disclosed |
| US-4678504-A | O-substituted 3-oxypridinium salts, their preparation and their use as fungicides for crop protection | BASF AKTIENGESELLSCHAFT (DE) | 1987-07-07 | — | — | US | disclosed |