Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | TLR4 | O00206 | 1/20 | 0.33 |
| ▸ | TYMP | P19971 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3162444 | 1.00 | ESR2 (0.42) | ESR2CYP2C9CYP1A2ALDH1A1LMNA | |
| SCHEMBL21482758 | 0.97 | ESR2 (0.41) | ESR2CYP2C9CYP1A2ALDH1A1LMNA | |
| SCHEMBL6750485 | 0.93 | TLR4 (0.41) | ESR2CYP2C9CYP1A2ALDH1A1LMNA | |
| SCHEMBL9442488 | 0.93 | TLR4 (0.41) | ESR2CYP2C9CYP1A2ALDH1A1LMNA | |
| Methyl Alcohol SCHEMBL27749194 | 0.85 | — | — | |
| SCHEMBL24197652 | 0.85 | ESR2 (0.50) | ESR2BRD4TYMP | |
| SCHEMBL5733 | 0.85 | — | — | |
| SCHEMBL5691374 | 0.85 | CYP1A2 (0.48) | CYP2C9CYP1A2ALDH1A1LMNAMAPK1 | |
| SCHEMBL240852 | 0.85 | ESR2 (0.50) | ESR2BRD4TYMP | |
| SCHEMBL129995 | 0.85 | — | — |
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-5254698-A | Liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-10-19 | — | — | US | disclosed |
| WO-1991009026-A2 | PHENYLDIOXANES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-06-27 | — | — | WO | disclosed |