Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL11812251 | 0.86 | CYP3A4 (0.36) | CYP3A4TSHRPIK3CAGABRA1GABRB2 | |
| Bromide SCHEMBL8186975 | 0.84 | CYP3A4 (0.34) | CYP3A4TSHRPIK3CAGABRA1GABRB2 | |
| Hydrochloric Acid SCHEMBL27672171 | 0.84 | CYP3A4 (0.34) | CYP3A4TSHRPIK3CAGABRA1GABRB2 | |
| SCHEMBL7898033 | 0.82 | IMPDH2 (0.39) | CYP3A4TSHRPIK3CAGABRA1GABRB2 | |
| SCHEMBL27862311 | 0.81 | GABRA1 (0.32) | TSHRGABRA1GABRB2MAPK1CYP1A2 | |
| SCHEMBL26664979 | 0.78 | TDP1 (0.48) | CYP3A4GABRA1GABRB2TP53ALOX15 | |
| SCHEMBL9788883 | 0.78 | POLB (0.37) | CYP3A4TSHRGABRA1GABRB2TP53 | |
| SCHEMBL9261804 | 0.78 | IMPDH2 (0.45) | GABRA1GABRB2IMPDH2 | |
| SCHEMBL9751004 | 0.77 | HTT (0.37) | CYP3A4TSHRPIK3CAIMPDH2SMN1; SMN2 | |
| SCHEMBL14816432 | 0.77 | GABRA1 (0.36) | CYP3A4GABRA1GABRB2ALOX15MAPK1 |
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 |