Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | LIPA | P38571 | 1/20 | 0.34 |
| ▸ | LSS | P48449 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9758411 | 1.00 | CYP1A2 (0.37) | CYP1A2HTTMEN1KMT2AEPHX1 | |
| SCHEMBL9758422 | 1.00 | CYP1A2 (0.37) | CYP1A2HTTMEN1KMT2AEPHX1 | |
| SCHEMBL9757760 | 0.98 | CYP1A2 (0.38) | CYP1A2HTTMEN1KMT2AEPHX1 | |
| SCHEMBL9757766 | 0.98 | CYP1A2 (0.38) | CYP1A2HTTMEN1KMT2AEPHX1 | |
| SCHEMBL9757756 | 0.98 | CYP1A2 (0.38) | CYP1A2HTTMEN1KMT2AEPHX1 | |
| SCHEMBL9758258 | 0.93 | CYP1A2 (0.44) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL9758264 | 0.93 | CYP1A2 (0.44) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL9758269 | 0.93 | CYP1A2 (0.44) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL9759136 | 0.89 | CYP1A2 (0.31) | CYP1A2CYP2C9 | |
| SCHEMBL9759127 | 0.89 | CYP1A2 (0.31) | CYP1A2CYP2C9 |
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 |