Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 8/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL4252848 | 0.83 | ALDH1A1 (0.36) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL1770370 | 0.83 | TP53 (0.50) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL13721564 | 0.77 | MAOB (0.62) | ALDH1A1KDM4EMAOBBCHEMAOA | |
| SCHEMBL7527524 | 0.74 | TP53 (0.38) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL5307452 | 0.74 | MAOB (0.58) | ALDH1A1CYP3A4TSHRKDM4EMAOB | |
| SCHEMBL13480728 | 0.74 | ACHE (0.50) | ALDH1A1CYP3A4SMN1; SMN2MAOBLMNA | |
| SCHEMBL5831450 | 0.74 | MAOB (0.46) | ALDH1A1KDM4EKMT2AL3MBTL1MAOB | |
| SCHEMBL17063021 | 0.73 | CYP1A1 (0.41) | CYP3A4MAOB | |
| SCHEMBL16180189 | 0.72 | HTR2C (0.47) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL22345190 | 0.71 | APP (0.43) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 |
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-2643000-A2 | THERAPEUTIC PIPERAZINES | Dart Neuroscience (Cayman) Ltd (KY) | 2013-10-02 | — | — | EP | disclosed |
| WO-2012040258-A2 | THERAPEUTIC PIPERAZINES | HELICON THERAPEUTICS, INC. (US) | 2012-03-29 | — | — | WO | disclosed |