Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.30 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| Thiobenzoic Acid SCHEMBL2045958 | 0.84 | ALDH1A1 (0.45) | ALDH1A1TSHRTDP1KMT2AHPGD | |
| SCHEMBL25360351 | 0.82 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1TAS1R3TAS1R1 | |
| Hydrogen Peroxide SCHEMBL28624206 | 0.81 | ALDH1A1 (0.85) | ALDH1A1TSHRTDP1TAS1R3TAS1R1 | |
| Thiobenzoic Acid SCHEMBL8082926 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TSHRTAS1R3TAS1R1TRPA1 | |
| SCHEMBL6897191 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRTDP1TAS1R3TAS1R1 | |
| SCHEMBL6517873 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRTDP1TAS1R3TAS1R1 | |
| SCHEMBL10972630 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRTDP1TAS1R3TAS1R1 | |
| SCHEMBL1178820 | 0.78 | TSHR (0.41) | ALDH1A1TSHRKMT2AHPGDHSD17B10 | |
| SCHEMBL13826229 | 0.77 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1TAS1R3TAS1R1 | |
| SCHEMBL16536 | 0.75 | ALDH1A1 (0.62) | ALDH1A1TSHRTDP1KMT2AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-112912431-B | Chloroprene-unsaturated nitrile copolymer composition and vulcanized molded article | 电化株式会社 | 2023-04-04 | — | — | CN | disclosed |
| CN-112955503-B | Chloroprene rubber composition and vulcanized molded article | 电化株式会社 | 2022-10-21 | — | — | CN | disclosed |