Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.47 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.43 |
| ▸ | MPL | P40238 | 2/20 | 0.42 |
| ▸ | CTRC | Q99895 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12363940 | 1.00 | NCEH1 (0.47) | NCEH1CTRB1SLC2A1MPLCTRC | |
| SCHEMBL10757517 | 0.87 | NCEH1 (0.49) | NCEH1CTRB1SLC2A1MPLCTRC | |
| SCHEMBL9558384 | 0.86 | HSD17B10 (0.53) | CTRB1SLC2A1MPLCTRCHSD17B10 | |
| SCHEMBL14991517 | 0.86 | CTRB1 (0.49) | CTRB1SLC2A1MPLCTRCHSD17B10 | |
| SCHEMBL10483759 | 0.84 | HSD17B10 (0.52) | CTRB1SLC2A1MPLCTRCHSD17B10 | |
| SCHEMBL11777460 | 0.84 | HSD17B10 (0.52) | CTRB1SLC2A1MPLCTRCHSD17B10 | |
| SCHEMBL10483753 | 0.84 | HSD17B10 (0.52) | CTRB1SLC2A1MPLCTRCHSD17B10 | |
| SCHEMBL7563342 | 0.84 | NCEH1 (0.51) | NCEH1CTRB1SLC2A1MPLCTRC | |
| Ammonia Solution, Strong SCHEMBL11299588 | 0.83 | NCEH1 (0.50) | NCEH1CTRB1SLC2A1MPLCTRC | |
| SCHEMBL1702486 | 0.83 | CTRB1 (0.47) | CTRB1SLC2A1MPLCTRCHSD17B10 |
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-4689232-A2 | SUSTAINABLE PREPARATION OF HEXAMETHYLENE DIISOCYANATE FOR THE PRODUCTION OF POLYURETHANE | Covestro Deutschland AG (DE) | 2026-02-11 | — | — | EP | disclosed |
| WO-2024208940-A2 | SUSTAINABLE PREPARATION OF HEXAMETHYLENE DIISOCYANATE FOR THE PRODUCTION OF POLYURETHANE | COVESTRO DEUTSCHLAND AG (DE) | 2024-10-10 | — | — | WO | disclosed |
| EP-4442859-A1 | SUSTAINABLE PRODUCTION OF HEXAMETHYLENE DIISOCYANATE FOR THE PRODUCTION OF POLYURETHANE | Covestro Deutschland AG (DE) | 2024-10-09 | — | — | EP | disclosed |