Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.33 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | PDE9A | O76083 | 1/20 | 0.31 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.30 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL24401937 | 0.98 | MIF (0.34) | MIFPTGS2P2RY6RPS6KA3PTGS1 | |
| SCHEMBL24401714 | 0.92 | GRM5 (0.37) | MIF | |
| SCHEMBL14015546 | 0.85 | P2RY6 (0.39) | MIFP2RY6RPS6KA3PNMTNAAA | |
| SCHEMBL24401716 | 0.83 | ADK (0.36) | — | |
| SCHEMBL24402007 | 0.81 | P2RY6 (0.40) | MIFP2RY6GAASMN1; SMN2PDE9A | |
| SCHEMBL24401945 | 0.81 | P2RY6 (0.47) | MIFP2RY6ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL24402012 | 0.80 | P2RY6 (0.46) | P2RY6ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL24401715 | 0.79 | KIF11 (0.39) | MIFALDH1A1SMN1; SMN2 | |
| SCHEMBL24401713 | 0.79 | KCNH2 (0.33) | MIF | |
| SCHEMBL1043323 | 0.77 | ACHE (0.48) | PTGS2RPS6KA3PTGS1SMN1; SMN2ACHE |
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-2022090099-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-05-05 | — | — | WO | disclosed |