Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NEK2 | P51955 | 4/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CASP2 | P42575 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6287035 | 1.00 | ALDH1A1 (0.50) | ALDH1A1MAPTKDM4ENEK2SMYD3 | |
| SCHEMBL9367565 | 1.00 | ALDH1A1 (0.50) | ALDH1A1MAPTKDM4ENEK2SMYD3 | |
| SCHEMBL6219737 | 0.90 | ALDH1A1 (0.40) | ALDH1A1MAPTKDM4ESMYD3BRD4 | |
| SCHEMBL9376059 | 0.82 | BRD4 (0.47) | ALDH1A1KDM4ESMYD3BRD4CREBBP | |
| SCHEMBL9366243 | 0.80 | ALDH1A1 (0.38) | ALDH1A1MAPTSMYD3MAPK1GSK3B | |
| SCHEMBL7434105 | 0.79 | PGR (0.48) | ALDH1A1MAPTKDM4ENEK2CDK1 | |
| SCHEMBL6748219 | 0.78 | ALDH1A1 (0.43) | ALDH1A1MAPTKDM4ENEK2CDK1 | |
| SCHEMBL8480632 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPTKDM4ENEK2SMYD3 | |
| SCHEMBL11333153 | 0.76 | KMT2A (0.39) | ALDH1A1SMYD3BRD4CREBBPMAPK1 | |
| SCHEMBL6447943 | 0.76 | ALDH1A1 (0.41) | ALDH1A1MAPTKDM4ENEK2CDK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0409435-B1 | Heteroaryl piperazine antipsychotic agents | PFIZER (US) | 1994-10-26 | — | — | EP | disclosed |
| US-5350747-A | Heteroaryl piperazine antipsychotic agents | PFIZER INC (US) | 1994-09-27 | — | — | US | disclosed |
| WO-1991000863-A1 | HETEROARYL PIPERAZINE ANTIPSYCHOTIC AGENTS | PFIZER INC. (US) | 1991-01-24 | — | — | WO | disclosed |