Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 5/20 | 0.41 |
| ▸ | CDK4 | P11802 | 3/20 | 0.41 |
| ▸ | CCND1 | P24385 | 3/20 | 0.41 |
| ▸ | CDK2 | P24941 | 3/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.34 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.34 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| SCHEMBL7722008 | 0.80 | CDK4 (0.35) | GSK3BCDK4CCND1MEN1KMT2A | |
| SCHEMBL7723028 | 0.80 | CDK4 (0.35) | GSK3BCDK4CCND1MEN1KMT2A | |
| SCHEMBL5996608 | 0.76 | PARP1 (0.39) | MEN1KMT2AMAPTALDH1A1ALDH1A3 | |
| Hydrochloric Acid SCHEMBL7723748 | 0.75 | PARP1 (0.38) | GSK3BMEN1KMT2AMAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL8347114 | 0.72 | HTR2C (0.51) | DRD2HTR2AHTR2CDRD3ACHE | |
| SCHEMBL7883990 | 0.69 | HTR1A (0.38) | GSK3BCDK4CCND1HTR1ADRD2 | |
| SCHEMBL7964016 | 0.68 | KMT2A (0.36) | MEN1KMT2AMAPTALDH1A1ALDH1A3 | |
| SCHEMBL29614674 | 0.66 | PARP1 (0.43) | GSK3BCDK4CCND1MEN1KMT2A | |
| SCHEMBL7722975 | 0.66 | HTR1A (0.43) | HTR1ADRD2DRD4HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL7727011 | 0.66 | KDM4E (0.43) | MEN1KMT2AMAPTALDH1A1ALDH1A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE37729-E1 | 4-Heteroaryl-1-piperidinealkylamines and derivatives thereof and their therapeutic utility | AVENTIS PHARMACEUTICALS INC. | 2002-06-04 | — | — | US | disclosed |
| US-RE37478-E1 | COMPOUNDS WITH HETEROCYCLIC AMINO COMPOUNDS | AVENTIS PHARMACEUTICALS, INC. | 2001-12-18 | — | — | US | disclosed |
| US-RE37029-E1 | ANTIPSYCHOTIC AND ANALGESIC AGENTS | AVENTIS PHARMACEUTICALS INC. | 2001-01-23 | — | — | US | disclosed |