Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 4/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1249225 | 0.93 | ADRA2A (0.53) | ADRA2AADRA2BADRA2CALDH1A1HPGD | |
| SCHEMBL248239 | 0.76 | CYP1A2 (0.58) | ALDH1A1HPGDMAPTCYP2D6CTRC | |
| SCHEMBL29354720 | 0.76 | CYP1A2 (0.58) | ALDH1A1HPGDMAPTCYP2D6CTRC | |
| Ammonia Solution, Strong SCHEMBL5431159 | 0.74 | CYP1A2 (0.56) | ALDH1A1HPGDMAPTCYP2D6CTRC | |
| SCHEMBL7275960 | 0.74 | CYP1A2 (0.56) | ALDH1A1HPGDMAPTCYP2D6CTRC | |
| Hydrochloric Acid SCHEMBL6011728 | 0.74 | CYP1A2 (0.56) | ADRA2AADRA2BADRA2CALDH1A1HPGD | |
| Fluoride SCHEMBL27516281 | 0.74 | CYP1A2 (0.56) | ALDH1A1HPGDMAPTCYP2D6CTRC | |
| SCHEMBL7822927 | 0.73 | TAAR1 (0.41) | TAAR1 | |
| Ammonia Solution, Strong SCHEMBL11771188 | 0.72 | CYP1A2 (0.54) | ALDH1A1HPGDMAPTCYP2D6CTRC | |
| SCHEMBL5816301 | 0.70 | C1R (0.38) | ADRA2AADRA2BADRA2CTAAR1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6063800-A | Modulators of molecules with phosphotyrosine recognition units | NOVO NORDISK A/S (DK) | 2000-05-16 | — | — | US | disclosed |