Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K12 | Q12852 | 2/20 | 0.35 |
| ▸ | SCD | O00767 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 3/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL9458637 | 0.82 | ALOX5 (0.32) | SMN1; SMN2SYKCYP19A1OPRL1 | |
| SCHEMBL9458055 | 0.79 | WDR5 (0.34) | SCDNPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL9458201 | 0.77 | OPRL1 (0.43) | NPC1ALDH1A1RAB9ASMN1; SMN2SYK | |
| SCHEMBL9458108 | 0.76 | ALOX5 (0.34) | NPC1ALDH1A1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL627580 | 0.71 | MAP3K12 (0.44) | MAP3K12SCDNPC1RAB9ATP53 | |
| SCHEMBL3158074 | 0.69 | SLC6A3 (0.49) | SCDNPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL15863054 | 0.69 | SLC6A4 (0.37) | NPC1ALDH1A1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL9384364 | 0.69 | — | — | |
| SCHEMBL31441140 | 0.68 | SLC6A3 (0.51) | SCDNPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL3516067 | 0.68 | SLC6A3 (0.51) | SCDNPC1ALDH1A1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5208259-A | Lipoxygenase enzyme inhibitors | IMPERIAL CHEMICAL INDUSTRIES (GB) | 1993-05-04 | — | — | US | disclosed |
| EP-0409413-A2 | Diaryl ether heterocycles | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-23 | — | — | EP | disclosed |