Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28228311 | 0.87 | CYP2D6 (0.41) | KDM4EALDH1A1GAAMAPTTAAR1 | |
| SCHEMBL198197 | 0.86 | CYP2D6 (0.45) | ALDH1A1CYP2D6SLC2A1HSD17B10CYP1A2 | |
| SCHEMBL30122848 | 0.86 | CYP2D6 (0.45) | ALDH1A1CYP2D6SLC2A1HSD17B10CYP1A2 | |
| SCHEMBL8773054 | 0.86 | CYP2D6 (0.45) | KDM4EALDH1A1CYP2D6CA2SLC2A1 | |
| SCHEMBL6336158 | 0.84 | CYP2D6 (0.44) | ALDH1A1CYP2D6SLC2A1HSD17B10CYP1A2 | |
| SCHEMBL417875 | 0.84 | SLC2A1 (0.45) | ALDH1A1CYP2D6SLC2A1HSD17B10CTRB1 | |
| SCHEMBL20885747 | 0.84 | PAX8 (0.42) | KDM4EALDH1A1GAAMAPTTAAR1 | |
| Naphthalene SCHEMBL28184204 | 0.84 | CYP2D6 (0.44) | ALDH1A1CYP2D6SLC2A1HSD17B10CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL23749153 | 0.83 | SLC2A1 (0.44) | KDM4ECYP2D6SLC2A1CTRB1 | |
| Formaldehyde SCHEMBL10787861 | 0.81 | SLC2A1 (0.43) | CYP2D6SLC2A1CTRB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0525572-A2 | Reactive dyes | BAYER AG (DE) | 1993-02-03 | — | — | EP | disclosed |
| EP-0443165-A1 | Reactive dyes | BAYER AG (DE) | 1991-08-28 | — | — | EP | disclosed |