Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 5/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | CCR2 | P41597 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL22108951 | 1.00 | NAAA (0.34) | NAAAABCB11ALDH1A1NR3C1CYP1A2 | |
| SCHEMBL22108969 | 0.92 | NAAA (0.32) | NAAA | |
| SCHEMBL22108901 | 0.92 | NAAA (0.32) | NAAA | |
| SCHEMBL22108902 | 0.92 | NAAA (0.32) | NAAA | |
| SCHEMBL990169 | 0.85 | ABCB11 (0.33) | ABCB11ALDH1A1NR3C1CYP1A2CYP3A4 | |
| SCHEMBL22108953 | 0.84 | ALOX5AP (0.32) | — | |
| SCHEMBL14207004 | 0.83 | NAAA (0.36) | NAAAALDH1A1CYP1A2 | |
| SCHEMBL21387142 | 0.83 | KIF11 (0.46) | — | |
| SCHEMBL12011023 | 0.83 | NAAA (0.36) | NAAAALDH1A1CYP1A2 | |
| SCHEMBL11553684 | 0.83 | ALOX5 (0.36) | NAAAABCB11ALDH1A1NR3C1CYP1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022128845-A1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |
| WO-2022129018-A1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |
| WO-2022090099-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-05-05 | — | — | WO | disclosed |
| WO-2022090098-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-05-05 | — | — | WO | disclosed |
| WO-2022008474-A1 | OPTICAL COMPONENT | MERCK PATENT GMBH (DE) | 2022-01-13 | — | — | WO | disclosed |
| WO-2020120586-A1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2020-06-18 | — | — | WO | disclosed |
| EP-3543314-A1 | LIQUID-CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2019-09-25 | — | — | EP | disclosed |