Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11034484 | 0.81 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL14256228 | 0.73 | — | — | |
| SCHEMBL11464468 | 0.72 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL10486969 | 0.72 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1594722 | 0.71 | NPC1 (0.31) | — | |
| SCHEMBL11453306 | 0.68 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL11455483 | 0.68 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28761734 | 0.64 | — | — | |
| SCHEMBL11132456 | 0.62 | CYP2C19 (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL878182 | 0.61 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103917568-A | Polymer, compositions and process for preparing them | DSM IP ASSETS BV | 2014-07-09 | — | — | CN | claimed |
| EP-0316672-A1 | Process for the preparation of glyoxal monoacetals | BASF Aktiengesellschaft (DE) | 1989-05-24 | — | — | EP | claimed |
| CN-103917568-A | Polymer, compositions and process for preparing them | DSM IP ASSETS BV | 2014-07-09 | — | — | CN | disclosed |
| CN-101624389-A | Flavoring agent and method for preparing same | CHINA TOBACCO HUBEI IND CO LTD | 2010-01-13 | — | — | CN | disclosed |
| EP-0316672-B1 | PROCESS FOR THE PREPARATION OF GLYOXAL MONOACETALS | BASF Aktiengesellschaft (DE) | 1993-06-09 | — | — | EP | disclosed |
| EP-0316672-A1 | Process for the preparation of glyoxal monoacetals | BASF Aktiengesellschaft (DE) | 1989-05-24 | — | — | EP | disclosed |