Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17693521 | 0.89 | ALDH1A1 (0.39) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL17366454 | 0.83 | ALDH1A1 (0.35) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL17366457 | 0.79 | KDM4E (0.30) | ALDH1A1TDP1 | |
| SCHEMBL17366458 | 0.73 | ALDH1A1 (0.41) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL18648379 | 0.71 | — | — | |
| SCHEMBL17368714 | 0.71 | — | — | |
| SCHEMBL18590807 | 0.68 | CNR2 (0.30) | — | |
| SCHEMBL17933705 | 0.68 | CNR2 (0.30) | — | |
| SCHEMBL18648229 | 0.66 | SLC2A1 (0.33) | ALDH1A1TSHRTDP1 | |
| SCHEMBL21082079 | 0.65 | MMP2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9453108-B2 | Flame retardant PHT compositions | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2016-09-27 | — | — | US | disclosed |