Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.75 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.67 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.67 |
| ▸ | MAOA | P21397 | 1/20 | 0.67 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.67 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.67 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.67 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.67 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.67 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.58 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.50 |
| ▸ | ANPEP | P15144 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | XIAP | P98170 | 1/20 | 0.48 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL23869573 | 0.86 | CYP2D6 (1.00) | CYP2D6TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL15834911 | 0.86 | CYP2D6 (1.00) | CYP2D6TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL30934 | 0.85 | TRPA1 (0.77) | CYP2D6TAAR1SLC6A2SIGMAR1MAOA | |
| Water SCHEMBL3896311 | 0.82 | TRPA1 (0.74) | CYP2D6TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL1140503 | 0.82 | TRPA1 (0.74) | CYP2D6TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL1396351 | 0.82 | CYP2D6 (0.69) | CYP2D6TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL13243863 | 0.80 | CYP2D6 (0.67) | CYP2D6TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL13243866 | 0.80 | CYP2D6 (0.67) | CYP2D6TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL13243865 | 0.80 | CYP2D6 (0.67) | CYP2D6TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL13243599 | 0.80 | CYP2D6 (0.67) | CYP2D6TAAR1SLC6A2SIGMAR1MAOA |
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-3774716-B1 | PROCESS FOR THE PREPARATION OF AMINES | BASF SE (DE) | 2022-03-16 | — | — | EP | disclosed |
| US-5021220-A | Haluaromatic compound, water-soluble acid, copper salt acid-stable reducing agent | MALLINCKRODT, INC. (US) | 1991-06-04 | — | — | US | disclosed |
| US-4942231-A | CATALYTIC HALOGENATION IN THE PRESENCE OF A REDUCING AGENT AND ACID MEDIUM | MALLINCKRODT, INC. (US) | 1990-07-17 | — | — | US | disclosed |
| EP-0165630-A2 | Method of preparing a chlorinated, brominated, radiobrominated, iodinated and/or radioiodinated, aromatic or heteroaromatic compound, as well as a kit for preparing a diagnostic composition on the basis of this compound | MALLINCKRODT, INC.(a Missouri corporation) (US) | 1985-12-27 | — | — | EP | disclosed |