Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | DRD4 | P21917 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7444391 | 0.99 | ALDH1A1 (0.52) | ALDH1A1DRD4CYP3A4CYP2D6TSHR | |
| Acetic Acid SCHEMBL7435033 | 0.97 | ALDH1A1 (0.50) | ALDH1A1DRD4CYP3A4CYP2D6TSHR | |
| SCHEMBL7435451 | 0.93 | RAB9A (0.51) | ALDH1A1DRD4TSHRLMNANPSR1 | |
| SCHEMBL7437173 | 0.92 | ALDH1A1 (0.49) | ALDH1A1DRD4CYP3A4CYP2D6TSHR | |
| SCHEMBL7434584 | 0.91 | ALDH1A1 (0.47) | ALDH1A1DRD4CYP3A4CYP2D6TSHR | |
| SCHEMBL7439962 | 0.91 | ALDH1A1 (0.47) | ALDH1A1DRD4CYP3A4CYP2D6TSHR | |
| SCHEMBL7434409 | 0.91 | MAPT (0.42) | ALDH1A1DRD4LMNANPSR1SMN1; SMN2 | |
| SCHEMBL7440410 | 0.90 | ALDH1A1 (0.46) | ALDH1A1DRD4CYP3A4CYP2D6TSHR | |
| SCHEMBL7429567 | 0.90 | ALDH1A1 (0.46) | ALDH1A1DRD4CYP3A4CYP2D6TSHR | |
| SCHEMBL7435698 | 0.89 | AIMP2 (0.48) | ALDH1A1DRD4CYP2D6LMNANPSR1 |
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-4499100-A | CARDIOUVASCULAR DISORDERS | SYNTEX (U.S.A.) INC. (US) | 1985-02-12 | — | — | US | claimed |
| US-4499100-A | CARDIOUVASCULAR DISORDERS | SYNTEX (U.S.A.) INC. (US) | 1985-02-12 | — | — | US | disclosed |