Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.56 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8761557 | 0.81 | SLC6A2 (0.54) | TAAR1SLC6A2TRPA1SMN1; SMN2HIF1A | |
| SCHEMBL8915534 | 0.79 | TAAR1 (0.52) | TAAR1SLC6A2TRPA1SMN1; SMN2HIF1A | |
| SCHEMBL18886612 | 0.76 | TAAR1 (0.58) | TAAR1SLC6A2TRPA1SMN1; SMN2HIF1A | |
| SCHEMBL18426836 | 0.74 | SLC6A2 (0.56) | TAAR1SLC6A2TRPA1SMN1; SMN2HIF1A | |
| SCHEMBL10508831 | 0.74 | TAAR1 (0.56) | TAAR1SLC6A2TRPA1SMN1; SMN2HIF1A | |
| SCHEMBL3663463 | 0.74 | SLC6A2 (0.56) | TAAR1SLC6A2TRPA1SMN1; SMN2HIF1A | |
| SCHEMBL10503241 | 0.73 | TAAR1 (0.67) | TAAR1SLC6A2SMN1; SMN2HIF1AMAOA | |
| SCHEMBL2487465 | 0.72 | TAAR1 (0.73) | TAAR1SLC6A2TRPA1SMN1; SMN2HIF1A | |
| Phentermine SCHEMBL26615 | 0.72 | SLC6A2 (1.00) | TAAR1SLC6A2TRPA1SMN1; SMN2HIF1A | |
| SCHEMBL22304553 | 0.72 | SLC6A2 (0.58) | TAAR1SLC6A2TRPA1SMN1; SMN2HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| 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-B1 | 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) | 1989-10-18 | — | — | EP | 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 |