Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 6/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 5/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3708035 | 0.83 | MAPT (0.54) | GRM5ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL24294400 | 0.81 | CYP11B1 (0.43) | GRM5ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL27682554 | 0.77 | APP (0.58) | GRM5ALDH1A1MEN1NPC1MAPT | |
| SCHEMBL5401212 | 0.77 | APP (0.55) | GRM5ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL30270412 | 0.77 | CYP3A4 (0.59) | GRM5ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL10300113 | 0.76 | GRM5 (0.54) | GRM5CYP1A2GFERFFAR1FFAR4 | |
| SCHEMBL29251289 | 0.76 | GRM5 (0.52) | GRM5ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL9305673 | 0.75 | GRM5 (0.51) | GRM5ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL30270426 | 0.75 | KDM4E (0.53) | GRM5ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL8424794 | 0.74 | APP (0.57) | GRM5ALDH1A1KDM4EMEN1NPC1 |
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 1 patent. 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 |