Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.67 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | LSS | P48449 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10569310 | 1.00 | CYP1A2 (0.67) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL10568311 | 0.97 | CYP1A2 (0.70) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL10568305 | 0.97 | CYP1A2 (0.70) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL5807045 | 0.94 | CYP1A2 (0.59) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL8462718 | 0.94 | CYP1A2 (0.67) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL6031279 | 0.94 | CYP1A2 (0.59) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL1847927 | 0.94 | CYP1A2 (0.59) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL997470 | 0.94 | CYP1A2 (0.59) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL10569325 | 0.94 | CYP1A2 (0.59) | CYP1A2HTTLMNAMAPK1EPHX1 | |
| SCHEMBL6753110 | 0.94 | CYP1A2 (0.59) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4834905-A | LIQUID CRYSTAL DIELECTRICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-05-30 | — | — | US | disclosed |
| US-4627933-A | ESTERS, ETHERS, NITRICES, HALIDES, OR HYDROCARBONS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-12-09 | — | — | US | disclosed |
| EP-0104327-A2 | Use of cyclic derivatives as components of liquid cristals | MERCK PATENT GmbH (DE) | 1984-04-04 | — | — | EP | disclosed |