Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.34 |
| ▸ | ACACB | O00763 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | SNCA | P37840 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | METAP2 | P50579 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.30 |
| ▸ | RARA | P10276 | 1/20 | 0.30 |
| ▸ | RARB | P10826 | 1/20 | 0.30 |
| ▸ | RARG | P13631 | 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 | |
|---|---|---|---|---|
| SCHEMBL9154284 | 0.95 | CYP2A6 (0.39) | CYP2A6FFAR1ACACBGRM5EGLN1 | |
| SCHEMBL9766643 | 0.93 | FFAR1 (0.36) | CYP2A6FFAR1ACACBFFAR4 | |
| SCHEMBL9158563 | 0.89 | FFAR1 (0.38) | FFAR1ACACBMAPTNPC1RAB9A | |
| SCHEMBL9155712 | 0.86 | TSHR (0.43) | FFAR1SMN1; SMN2TP53MAPTNPC1 | |
| SCHEMBL9156038 | 0.85 | HSD17B10 (0.49) | FFAR1SMN1; SMN2TP53MAPTGAA | |
| SCHEMBL9766638 | 0.84 | HSD17B10 (0.48) | FFAR1SMN1; SMN2TP53MAPTNPC1 | |
| SCHEMBL9158273 | 0.84 | FFAR1 (0.40) | FFAR1ACACBFFAR4 | |
| SCHEMBL9158464 | 0.83 | NQO1 (0.39) | ACACBSMN1; SMN2TP53MAPTNPC1 | |
| SCHEMBL9874595 | 0.82 | HSD17B10 (0.39) | FFAR1SMN1; SMN2MAPTGAARAB9A | |
| SCHEMBL8774750 | 0.81 | FFAR1 (0.38) | CYP2A6FFAR1ACACBGRM5EGLN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0445248-B1 | PYRIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-03-08 | — | — | EP | disclosed |
| US-5205962-A | Stable liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-27 | — | — | US | disclosed |