Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL9759128 | 1.00 | THRA (0.42) | THRATHRBLMNAMAPK1HTT | |
| SCHEMBL4402404 | 0.82 | THRA (0.37) | THRATHRBLMNAMAPK1HTT | |
| SCHEMBL5848308 | 0.78 | THRA (0.68) | THRATHRBLMNAMAPK1HTT | |
| SCHEMBL9759598 | 0.78 | THRA (0.68) | THRATHRBLMNAMAPK1HTT | |
| SCHEMBL13635800 | 0.78 | TLR4 (0.37) | THRATHRBLMNAMAPK1HTT | |
| SCHEMBL31707477 | 0.78 | THRA (0.32) | THRATHRBKMT2AALDH1A1 | |
| SCHEMBL9061860 | 0.75 | LMNA (0.39) | THRATHRBLMNAMAPK1HTT | |
| SCHEMBL5791003 | 0.73 | LMNA (0.38) | THRATHRBLMNAMAPK1HTT | |
| SCHEMBL12889682 | 0.73 | LMNA (0.38) | THRATHRBLMNAMAPK1HTT | |
| Methyl Alcohol SCHEMBL27749194 | 0.72 | — | — |
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-4985583-A | Liquid Crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-01-15 | — | — | US | disclosed |
| EP-0154849-A2 | Cyclohexane derivatives | MERCK PATENT GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |