Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9683733 | 1.00 | ABCB1 (0.36) | ABCB1ALDH1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL9684091 | 0.89 | ABCB1 (0.42) | ABCB1ALDH1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL9684099 | 0.89 | ABCB1 (0.42) | ABCB1ALDH1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL9684235 | 0.88 | KCNH2 (0.34) | ABCB1ALDH1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL9684229 | 0.88 | KCNH2 (0.34) | ABCB1ALDH1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL9683706 | 0.88 | NR1H3 (0.35) | ABCB1ADRB2ADRB1ADRB3 | |
| SCHEMBL9787439 | 0.81 | ABCB1 (0.46) | ABCB1CYP2D6MEN1KMT2AADRB2 | |
| SCHEMBL9787435 | 0.81 | ABCB1 (0.46) | ABCB1CYP2D6MEN1KMT2AADRB2 | |
| SCHEMBL9684985 | 0.80 | ABCB1 (0.42) | ABCB1ALDH1A1CYP2D6MEN1KMT2A | |
| SCHEMBL9684987 | 0.80 | ABCB1 (0.42) | ABCB1ALDH1A1CYP2D6MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5166218-A | Antilipemic agents or antiglycemic agents | HOFFMANN-LA ROCHE INC. (US) | 1992-11-24 | — | — | US | disclosed |
| US-5064863-A | Catabolic activity, obesity, diabetes | HOFFMANN-LA ROCHE INC. (US) | 1991-11-12 | — | — | US | disclosed |