Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL4651880 | 0.85 | TSHR (0.49) | PTGDR2CYP19A1CYP11B1CYP11B2CTSS | |
| SCHEMBL8375669 | 0.85 | CYP2A6 (0.55) | PTGDR2CYP2A6CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL11597170 | 0.84 | TSHR (0.51) | PTGDR2CYP19A1CYP11B1CYP11B2TSHR | |
| SCHEMBL3422472 | 0.82 | PTGDR2 (0.53) | PTGDR2CYP19A1CYP11B1CYP11B2TSHR | |
| SCHEMBL10929191 | 0.81 | PTGDR2 (0.47) | PTGDR2CYP19A1CYP11B2TSHRADRA2C | |
| SCHEMBL8459741 | 0.81 | TP53 (0.52) | LRRK2CYP2A6CYP1A2BCL2ALDH1A1 | |
| SCHEMBL13266542 | 0.79 | GABRG2 (0.49) | LRRK2CYP2A6CTSSCTSKADRA2C | |
| SCHEMBL996126 | 0.79 | PTGDR2 (0.50) | PTGDR2CYP19A1CYP11B1CYP11B2TSHR | |
| SCHEMBL20740894 | 0.79 | PTGDR2 (0.50) | PTGDR2CYP19A1CYP11B1CYP11B2TSHR | |
| SCHEMBL31741945 | 0.79 | PTGDR2 (0.50) | PTGDR2CYP19A1CYP11B1CYP11B2TSHR |
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 |