Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24538290 | 0.78 | APLNR (0.34) | TDP1MAPTL3MBTL1CYP1A2HPGD | |
| SCHEMBL12476433 | 0.75 | MAPT (0.41) | TDP1MAPTL3MBTL1CYP1A2HPGD | |
| SCHEMBL191977 | 0.72 | ALDH1A1 (0.36) | TDP1CYP1A2HPGDALDH1A1ABCB11 | |
| SCHEMBL24538285 | 0.70 | APLNR (0.34) | CYP1A2APLNR | |
| SCHEMBL24538284 | 0.70 | GABRA1 (0.36) | — | |
| SCHEMBL24538292 | 0.67 | MIF (0.41) | APLNR | |
| SCHEMBL1661841 | 0.67 | ABCB11 (0.38) | TDP1CYP1A2HPGDALDH1A1ABCB11 | |
| SCHEMBL31230877 | 0.67 | ABCB11 (0.38) | TDP1CYP1A2HPGDALDH1A1ABCB11 | |
| SCHEMBL5674151 | 0.67 | CYP1A2 (0.35) | TDP1MAPTL3MBTL1CYP1A2HPGD | |
| SCHEMBL850260 | 0.66 | — | — |
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 2 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 |