Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL23797196 | 0.98 | NAAA (0.42) | TSHRCYP3A4NAAAMAPTMEN1 | |
| SCHEMBL23797185 | 0.98 | NAAA (0.42) | TSHRCYP3A4NAAAMAPTMEN1 | |
| SCHEMBL23797194 | 0.98 | NAAA (0.42) | TSHRCYP3A4NAAAMAPTMEN1 | |
| SCHEMBL23797179 | 0.98 | NAAA (0.42) | TSHRCYP3A4NAAAMAPTMEN1 | |
| SCHEMBL23797187 | 0.98 | NAAA (0.42) | TSHRCYP3A4NAAAMAPTMEN1 | |
| SCHEMBL23797161 | 0.96 | NAAA (0.43) | TSHRCYP3A4NAAAMAPTMEN1 | |
| SCHEMBL23797160 | 0.94 | NAAA (0.47) | TSHRCYP3A4NAAAMAPTMEN1 | |
| SCHEMBL23797156 | 0.94 | NAAA (0.47) | TSHRCYP3A4NAAAMAPTMEN1 | |
| SCHEMBL23797169 | 0.94 | NAAA (0.47) | TSHRCYP3A4NAAAMAPTMEN1 | |
| SCHEMBL23797148 | 0.94 | NAAA (0.47) | TSHRCYP3A4NAAAMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4118161-A1 | USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES | Covestro Deutschland AG (DE) | 2023-01-18 | — | — | EP | disclosed |
| WO-2021180709-A1 | USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES | COVESTRO DEUTSCHLAND AG (DE) | 2021-09-16 | — | — | WO | disclosed |
| EP-3878914-A1 | USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES | Covestro Deutschland AG (DE) | 2021-09-15 | — | — | EP | disclosed |