Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL91795 | 0.87 | AKR1C3 (0.45) | AKR1C3AKR1C2PDE3BPDE3AESR1 | |
| SCHEMBL91863 | 0.86 | PDE3B (0.40) | AKR1C3AKR1C2PDE3BPDE3AESR1 | |
| SCHEMBL18499512 | 0.86 | PDE3B (0.39) | AKR1C3AKR1C2PDE3BPDE3AESR1 | |
| SCHEMBL20286643 | 0.85 | ESR2 (0.43) | AKR1C3AKR1C2PDE3BPDE3AESR1 | |
| SCHEMBL18553115 | 0.85 | AKR1C3 (0.46) | AKR1C3AKR1C2PDE3BPDE3AESR1 | |
| SCHEMBL26392530 | 0.84 | RPS6KA3 (0.39) | AKR1C3AKR1C2PDE3BPDE3ARPS6KA3 | |
| SCHEMBL10018710 | 0.80 | PTGS2 (0.40) | AKR1C3AKR1C2PDE3BPDE3ARPS6KA3 | |
| SCHEMBL13572725 | 0.79 | PDE3B (0.41) | AKR1C3AKR1C2PDE3BPDE3AESR1 | |
| SCHEMBL26529413 | 0.78 | ESR2 (0.47) | ESR1ESR2MEN1NPC1RAB9A | |
| SCHEMBL881045 | 0.77 | PDE3B (0.35) | AKR1C3AKR1C2PDE3BPDE3ARPS6KA3 |
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-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| US-7419706-B2 | Liquid crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2008-09-02 | — | — | US | disclosed |