Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | LSS | P48449 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9647751 | 1.00 | CYP1A2 (0.43) | CYP1A2LSSPKMHTTLMNA | |
| SCHEMBL9406638 | 1.00 | CYP1A2 (0.43) | CYP1A2LSSPKMHTTLMNA | |
| SCHEMBL9406668 | 0.94 | CYP1A2 (0.50) | CYP1A2LSSPKMHTTLMNA | |
| SCHEMBL9406663 | 0.94 | CYP1A2 (0.50) | CYP1A2LSSPKMHTTLMNA | |
| SCHEMBL10485883 | 0.92 | CYP1A2 (0.41) | CYP1A2LSSPKMHTTLMNA | |
| SCHEMBL10706678 | 0.92 | CYP1A2 (0.41) | CYP1A2LSSPKMHTTLMNA | |
| SCHEMBL10485896 | 0.92 | CYP1A2 (0.41) | CYP1A2LSSPKMHTTLMNA | |
| SCHEMBL9406730 | 0.91 | ALDH1A1 (0.41) | CYP1A2LSSPKMHTTLMNA | |
| SCHEMBL10486136 | 0.91 | CYP1A2 (0.39) | CYP1A2LSSPKMHTTLMNA | |
| SCHEMBL9406725 | 0.91 | ALDH1A1 (0.41) | CYP1A2LSSPKMHTTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0361532-B1 | Ethane derivatives | MERCK PATENT GMBH (DE) | 1994-04-06 | — | — | EP | claimed |
| EP-0361532-B1 | Ethane derivatives | MERCK PATENT GMBH (DE) | 1994-04-06 | — | — | EP | disclosed |
| US-5102578-A | Electrooptics | HOFFMANN-LA ROCHE INC. (US) | 1992-04-07 | — | — | US | disclosed |
| EP-0361532-A2 | Ethane derivatives | MERCK PATENT GmbH (DE) | 1990-04-04 | — | — | EP | disclosed |