Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL9678216 | 0.95 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2NPSR1HTTCYP3A4 | |
| SCHEMBL24497003 | 0.85 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2NPSR1HTTCYP3A4 | |
| SCHEMBL14776737 | 0.84 | CRHBP (0.57) | ALDH1A1SMN1; SMN2NPSR1ATMMAPT | |
| SCHEMBL3376566 | 0.84 | ATM (0.46) | ALDH1A1SMN1; SMN2NPSR1HTTCYP3A4 | |
| SCHEMBL1522089 | 0.83 | CYP3A4 (0.52) | ALDH1A1SMN1; SMN2HTTCYP3A4POLB | |
| SCHEMBL11570711 | 0.82 | CYP3A4 (0.50) | ALDH1A1SMN1; SMN2HTTCYP3A4POLB | |
| SCHEMBL3862638 | 0.82 | ATM (0.50) | ALDH1A1SMN1; SMN2HTTCYP3A4POLB | |
| SCHEMBL9167379 | 0.80 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2NPSR1HTTMAPT | |
| SCHEMBL28476636 | 0.80 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2NPSR1HTTMAPT | |
| SCHEMBL9679694 | 0.79 | ATM (0.39) | ALDH1A1SMN1; SMN2NPSR1CYP3A4POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0512404-A1 | Identification of liquid hydrocarbons using chemical markers | NALCO CHEMICAL COMPANY (US) | 1992-11-11 | — | — | EP | disclosed |
| US-3941783-A | Process for the production of N,N-disubstituted carboxylic amides | ESZAKMAGYARORSZAGI VEGYIMUVEK (HU) | 1976-03-02 | — | — | US | disclosed |