Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | EBP | Q15125 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 5/20 | 0.32 |
| ▸ | THRA | P10827 | 4/20 | 0.32 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 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 | |
|---|---|---|---|---|
| SCHEMBL6918166 | 0.81 | PSMD14 (0.40) | ALDH1A1TSHRHSD17B10EBPSIGMAR1 | |
| SCHEMBL6835187 | 0.79 | ESR1 (0.36) | TSHRHSD17B10EBPSIGMAR1MEN1 | |
| SCHEMBL4657619 | 0.78 | ALDH1A1 (0.35) | ALDH1A1PIK3CGESR1ESR2 | |
| SCHEMBL27802870 | 0.78 | TNNC1 (0.41) | CA1CA2ALDH1A1THRBTHRA | |
| SCHEMBL27802903 | 0.77 | TNNC1 (0.43) | CA1CA2ALDH1A1THRBTHRA | |
| SCHEMBL27781297 | 0.77 | TNNC1 (0.43) | CA1CA2ALDH1A1THRBTHRA | |
| SCHEMBL27802899 | 0.77 | TNNC1 (0.43) | CA1CA2ALDH1A1THRBTHRA | |
| SCHEMBL6921008 | 0.77 | KMT2A (0.42) | ALDH1A1HSD17B10THRBTHRATNNC1 | |
| SCHEMBL29727587 | 0.76 | ATM (0.42) | EBPSIGMAR1MEN1KMT2A | |
| SCHEMBL6839275 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TSHRPIK3CGESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1385377-A1 | PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002089579-A1 | PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-11-14 | — | — | WO | disclosed |