Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10249618 | 0.87 | DRD2 (0.42) | DRD2SLC6A4SLC6A3SLC6A2TP53 | |
| SCHEMBL10252969 | 0.86 | DRD2 (0.41) | DRD2SLC6A4SLC6A3SLC6A2CYP3A4 | |
| SCHEMBL10249615 | 0.86 | DRD2 (0.41) | DRD2CTSL | |
| SCHEMBL10252970 | 0.80 | DRD2 (0.36) | DRD2SLC6A4SLC6A3SLC6A2CYP3A4 | |
| SCHEMBL10270219 | 0.76 | CYP3A4 (0.43) | SLC6A4SLC6A3SLC6A2TP53CYP3A4 | |
| SCHEMBL12321338 | 0.74 | BCAT2 (0.43) | ADRB2ADRB1ADRB3AAK1 | |
| SCHEMBL31156775 | 0.73 | AAK1 (0.44) | ADRB2ADRB1ADRB3AAK1 | |
| SCHEMBL31156795 | 0.73 | AAK1 (0.44) | ADRB2ADRB1ADRB3AAK1 | |
| SCHEMBL31156788 | 0.73 | AAK1 (0.44) | ADRB2ADRB1ADRB3AAK1 | |
| SCHEMBL3063248 | 0.73 | AAK1 (0.44) | ADRB2ADRB1ADRB3AAK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012020130-A1 | PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBOTT GMBH & CO. KG (DE) | 2012-02-16 | — | — | WO | disclosed |