Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL21162002 | 0.88 | PKM (0.36) | TSHRPKMSMN1; SMN2EPHX1 | |
| SCHEMBL8167713 | 0.85 | BTK (0.38) | TSHRSMN1; SMN2EPHX1 | |
| SCHEMBL8168454 | 0.83 | TSHR (0.41) | TSHRPKMSMN1; SMN2EPHX1 | |
| SCHEMBL27325974 | 0.82 | TSHR (0.39) | TSHREPHX1 | |
| SCHEMBL5949330 | 0.82 | TSHR (0.39) | TSHREPHX1 | |
| SCHEMBL21680653 | 0.81 | TSHR (0.36) | TSHRTNFPKMSMN1; SMN2EPHX1 | |
| SCHEMBL21680652 | 0.81 | TSHR (0.36) | TSHRTNFPKMSMN1; SMN2EPHX1 | |
| SCHEMBL28551553 | 0.79 | BTK (0.47) | EPHX1 | |
| SCHEMBL21707215 | 0.79 | BTK (0.47) | EPHX1 | |
| SCHEMBL8163075 | 0.77 | EPHX1 (0.47) | TSHRSMN1; SMN2EPHX1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0976723-A2 | A cycloaliphatic polyisocyanate compound, a process for the preparation thereof, a polyurethane therefrom, and an adhesive composition | Daicel Chemical Industries, Ltd. (JP) | 2000-02-02 | — | — | EP | disclosed |