Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | LSS | P48449 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8215807 | 1.00 | CYP1A2 (0.54) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL10705142 | 0.98 | CYP1A2 (0.56) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL8212001 | 0.98 | CYP1A2 (0.56) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL8217261 | 0.98 | CYP1A2 (0.56) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL10486416 | 0.98 | CYP1A2 (0.56) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL10486268 | 0.98 | CYP1A2 (0.56) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL8216539 | 0.98 | CYP1A2 (0.50) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL8220158 | 0.98 | CYP1A2 (0.50) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL8215680 | 0.98 | CYP1A2 (0.56) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL8220140 | 0.98 | CYP1A2 (0.50) | CYP1A2HTTLMNAMAPK1EPHX1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4751017-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-06-14 | — | — | US | disclosed |
| US-4715984-A | DIELECTRICS FOR ELECTROOPTICAL DISPLAY | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-12-29 | — | — | US | disclosed |
| EP-0220254-A1 | BENZONITRILES. | MERCK PATENT GMBH (DE) | 1987-05-06 | — | — | EP | disclosed |
| WO-1986006372-A1 | BENZONITRILE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1986-11-06 | — | — | WO | disclosed |