Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | KDM1A | O60341 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8375672 | 0.85 | PTGDR2 (0.44) | CYP2A6ALDH1A1MAPK1TSHRHSD17B10 | |
| SCHEMBL8459740 | 0.85 | MAPT (0.57) | CYP2A6MAPTALDH1A1MAPK1NPC1 | |
| SCHEMBL4651878 | 0.84 | TSHR (0.62) | CYP2A6KDM1ATSHRHSD17B10CYP19A1 | |
| SCHEMBL4604750 | 0.84 | TSHR (0.62) | CYP2A6KDM1ATSHRHSD17B10CYP19A1 | |
| SCHEMBL30266947 | 0.84 | TSHR (0.62) | CYP2A6KDM1ATSHRHSD17B10CYP19A1 | |
| SCHEMBL4603532 | 0.83 | TSHR (0.65) | KDM1ATSHRHSD17B10CYP19A1 | |
| SCHEMBL9632643 | 0.83 | TSHR (0.65) | KDM1ATSHRHSD17B10CYP19A1 | |
| SCHEMBL11730491 | 0.83 | TSHR (0.65) | KDM1ATSHRHSD17B10CYP19A1 | |
| SCHEMBL4605460 | 0.83 | TSHR (0.65) | KDM1ATSHRHSD17B10CYP19A1 | |
| SCHEMBL11572123 | 0.83 | TSHR (0.65) | KDM1ATSHRHSD17B10CYP19A1 |
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-5958290-A | ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1999-09-28 | — | — | US | disclosed |
| US-5344587-A | Nitriles | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-09-06 | — | — | US | disclosed |