Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | MPL | P40238 | 1/20 | 0.38 |
| ▸ | CTRC | Q99895 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 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 | |
|---|---|---|---|---|
| SCHEMBL30122848 | 0.89 | CYP2D6 (0.45) | CYP2D6SLC2A1TDP1ALDH1A1CYP2A6 | |
| SCHEMBL198197 | 0.89 | CYP2D6 (0.45) | CYP2D6SLC2A1TDP1ALDH1A1CYP2A6 | |
| SCHEMBL6336158 | 0.87 | CYP2D6 (0.44) | CYP2D6SLC2A1TDP1ALDH1A1CYP2A6 | |
| Naphthalene SCHEMBL28184204 | 0.87 | CYP2D6 (0.44) | CYP2D6SLC2A1TDP1ALDH1A1CYP2A6 | |
| SCHEMBL417875 | 0.87 | SLC2A1 (0.45) | CYP2D6SLC2A1TDP1ALDH1A1CYP2A6 | |
| Ammonia Solution, Strong SCHEMBL23749153 | 0.86 | SLC2A1 (0.44) | CYP2D6SLC2A1CTRB1KDM4E | |
| SCHEMBL9564040 | 0.86 | KDM4E (0.43) | CYP2D6SLC2A1TDP1ALDH1A1CYP2A6 | |
| Formaldehyde SCHEMBL10787861 | 0.84 | SLC2A1 (0.43) | CYP2D6SLC2A1CTRB1 | |
| SCHEMBL9142087 | 0.83 | CTRC (0.47) | CYP2D6TDP1KDM4ECTRCCA2 | |
| SCHEMBL9658683 | 0.83 | GPR55 (0.46) | CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0383995-B1 | Aromatic thermosetting resins and preparation thereof | SUMIKIN CHEMICAL (JP) | 1997-10-15 | — | — | EP | disclosed |
| US-5017683-A | Organic acid catalyst | SUMIKIN CHEMICAL CO., LTD. (JP) | 1991-05-21 | — | — | US | disclosed |
| EP-0383995-A2 | Aromatic thermosetting resins and preparation thereof | SUMIKIN CHEMICAL CO., LTD. (JP) | 1990-08-29 | — | — | EP | disclosed |