Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 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 | |
|---|---|---|---|---|
| SCHEMBL13137655 | 0.81 | ADRB2 (0.49) | ADRB2ADRB1SIGMAR1NISCHAOC3 | |
| Methylamine SCHEMBL10936653 | 0.79 | CYP3A4 (0.45) | SIGMAR1AOC3CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL1692217 | 0.74 | ADRB2 (0.48) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL11044330 | 0.72 | ADRB2 (0.46) | ADRB2ADRB1SIGMAR1NISCHCYP2D6 | |
| Methylamine SCHEMBL10938312 | 0.72 | SIGMAR1 (0.39) | SIGMAR1AOC3CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL19954214 | 0.70 | ADRB2 (0.50) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL335275 | 0.70 | ADRB2 (0.47) | ADRB2ADRB1NISCHAOC3CYP2D6 | |
| SCHEMBL27900783 | 0.70 | ADRB2 (0.51) | ADRB2ADRB1SIGMAR1NISCHAOC3 | |
| SCHEMBL27992408 | 0.70 | ADRB2 (0.51) | ADRB2ADRB1SIGMAR1NISCHAOC3 | |
| SCHEMBL27918657 | 0.70 | ADRB2 (0.51) | ADRB2ADRB1SIGMAR1NISCHAOC3 |
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-4500452-A | NOT SUBJECT TO ENZYME DEACTIVATION | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1985-02-19 | — | — | US | disclosed |
| US-4472304-A | CARCINOSTATIC | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1984-09-18 | — | — | US | disclosed |