Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL374655 | 0.97 | CYP3A4 (0.40) | CYP3A4TSHRTRPA1TDP1MAPK1 | |
| SCHEMBL300705 | 0.87 | CYP3A4 (0.44) | CYP3A4TRPA1TDP1MIFALDH1A1 | |
| SCHEMBL6841981 | 0.86 | CYP3A4 (0.41) | CYP3A4TSHRTRPA1 | |
| SCHEMBL365140 | 0.83 | CYP3A4 (0.50) | CYP3A4TSHRTRPA1TDP1MIF | |
| SCHEMBL532582 | 0.82 | CYP3A4 (0.42) | CYP3A4TSHRTRPA1TDP1MAPK1 | |
| SCHEMBL4139131 | 0.81 | CYP3A4 (0.46) | CYP3A4TSHRTRPA1TDP1MAPK1 | |
| SCHEMBL19867719 | 0.81 | CYP3A4 (0.38) | CYP3A4TSHRTRPA1TDP1MAPK1 | |
| SCHEMBL295315 | 0.80 | CYP3A4 (0.47) | CYP3A4TSHRTRPA1TDP1MAPK1 | |
| SCHEMBL8491592 | 0.79 | CYP3A4 (0.44) | CYP3A4TSHRTRPA1TDP1MAPK1 | |
| SCHEMBL93536 | 0.79 | CYP3A4 (0.54) | CYP3A4TSHRTRPA1TDP1MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4212982-A | Polyisocyanates with at least one hydantoin or thiohydantoin ring substituted by carboxylic acid amide groups | BAYER AKTIENGESELLSCHAFT (DE) | 1980-07-15 | — | — | US | disclosed |
| EP-0002445-A1 | Polyiso(thio)cyanates wich contain hydantoin or thiohydantoin rings, their preparation and use | BAYER AG (DE) | 1979-06-27 | — | — | EP | disclosed |
| EP-0002001-A1 | Heterocyclic polyisocyanates, their preparation and their application | BAYER AG (DE) | 1979-05-30 | — | — | EP | disclosed |