Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.30 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | CD44 | P16070 | 1/20 | 0.30 |
| ▸ | IDH1 | O75874 | 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 | |
|---|---|---|---|---|
| SCHEMBL26209842 | 0.77 | IMPDH2 (0.33) | TLR8IMPDH2 | |
| SCHEMBL10709835 | 0.76 | IMPDH2 (0.46) | TSHRALDH1A1CYP3A4HSD17B10HPGD | |
| SCHEMBL7098161 | 0.76 | TLR8 (0.40) | TSHRALDH1A1CYP3A4HSD17B10HPGD | |
| SCHEMBL22369144 | 0.75 | TLR8 (0.38) | TSHRALDH1A1CYP3A4HPGDTDP1 | |
| SCHEMBL27909752 | 0.73 | CYP3A4 (0.43) | TSHRALDH1A1CYP3A4HSD17B10HPGD | |
| SCHEMBL10325016 | 0.73 | TAAR1 (0.52) | TSHRALDH1A1HPGDTDP1SMN1; SMN2 | |
| SCHEMBL28923175 | 0.73 | ACHE (0.42) | ALDH1A1CYP3A4HSD17B10HPGDTDP1 | |
| SCHEMBL12802667 | 0.73 | CYP2A6 (0.35) | TSHRALDH1A1HPGDTDP1USP2 | |
| SCHEMBL8967943 | 0.70 | TAAR1 (0.54) | TSHRALDH1A1CYP3A4HSD17B10HPGD | |
| SCHEMBL12802388 | 0.70 | GABRA1 (0.41) | TSHRALDH1A1 |
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-104781229-B | 1, 4-bis (isocyanatomethyl) cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens | 三井化学株式会社 | 2017-03-01 | — | — | CN | disclosed |
| CN-105017080-B | 1, 4-bis (isocyanatomethyl) cyclohexane, polyisocyanate composition, spectacle material, spectacle frame, and lens | 三井化学株式会社 | 2016-10-12 | — | — | CN | disclosed |