Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | C3AR1 | Q16581 | 2/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.42 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.42 |
| ▸ | PAM | P19021 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PTGIR | P43119 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3889025 | 0.82 | TSHR (0.49) | NPC1ALOX15CYP2D6CYP1A2PKM | |
| SCHEMBL18203959 | 0.82 | NPC1 (0.45) | NPC1ALOX15PTGIR | |
| SCHEMBL3889021 | 0.82 | TSHR (0.49) | NPC1ALOX15CYP2D6CYP1A2PKM | |
| SCHEMBL7129055 | 0.81 | HTR2A (0.50) | CA12CA1CA2CA9TSHR | |
| SCHEMBL9292262 | 0.80 | ALDH1A1 (0.51) | CA12CA9C3AR1NR1H2NR1H3 | |
| Bicarbonate SCHEMBL28037193 | 0.78 | ALDH1A1 (0.47) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL11244967 | 0.76 | CA12 (0.57) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL11385770 | 0.76 | CA12 (0.57) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL11244962 | 0.76 | CA12 (0.57) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| Isopropylbenzene SCHEMBL27479283 | 0.75 | GLA (0.47) | NPC1ALOX15SMN1; SMN2NR1H2NR1H3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6489339-B1 | C3A receptor ligands | SMITHKLINE BEECHAM CORPORATION | 2002-12-03 | — | — | US | disclosed |
| EP-1119357-A1 | C3A RECEPTOR LIGANDS | SmithKline Beecham Corporation (US) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000009129-A1 | C3A RECEPTOR LIGANDS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-24 | — | — | WO | disclosed |