Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11673199 | 0.84 | ALDH1A1 (0.53) | ALDH1A1HPGDHTTSMN1; SMN2ADRA2A | |
| SCHEMBL10746717 | 0.83 | ALDH1A1 (0.52) | ALDH1A1HPGDHTTSMN1; SMN2ADRA2A | |
| SCHEMBL28935895 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDHTTSMN1; SMN2ADRA2A | |
| SCHEMBL2820699 | 0.81 | ALDH1A1 (0.55) | ALDH1A1HPGDHTTSMN1; SMN2ADRA2A | |
| SCHEMBL6706103 | 0.80 | ALDH1A1 (0.52) | ALDH1A1HPGDHTTSMN1; SMN2ADRA2A | |
| SCHEMBL11267013 | 0.80 | ALDH1A1 (0.49) | ALDH1A1HPGDHTTSMN1; SMN2ADRA2A | |
| SCHEMBL177279 | 0.80 | ALDH1A1 (0.55) | ALDH1A1HPGDHTTSMN1; SMN2ADRA2A | |
| SCHEMBL29165171 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HPGDHTTSMN1; SMN2ADRA2A | |
| SCHEMBL11323988 | 0.78 | ALDH1A1 (0.53) | ALDH1A1HPGDHTTSMN1; SMN2ADRA2A | |
| SCHEMBL28570178 | 0.77 | ALDH1A1 (0.52) | ALDH1A1HPGDHTTSMN1; SMN2ADRA2A |
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-5552550-A | COUPLING NAPHTHALENE AND ISOQUINOLINE TO FORM ALKALOIDS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-09-03 | — | — | US | disclosed |