Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 2/20 | 0.33 |
| ▸ | CASP2 | P42575 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | WEE1 | P30291 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | LIPE | Q05469 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 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 | 0.84 | CDK4 (0.35) | CDK4CCND1GSK3BALDH1A1MAPT | |
| SCHEMBL5996608 | 0.81 | PARP1 (0.39) | ALDH1A1MAPTHPGDTSHRRAB9A | |
| Hydrochloric Acid SCHEMBL7723748 | 0.80 | PARP1 (0.38) | GSK3BALDH1A1MAPTHPGDTSHR | |
| SCHEMBL7718684 | 0.80 | GSK3B (0.41) | CDK4CCND1GSK3BALDH1A1MAPT | |
| SCHEMBL7883990 | 0.74 | HTR1A (0.38) | CDK4CCND1GSK3BALDH1A1 | |
| SCHEMBL8350209 | 0.71 | HTR2C (0.53) | ACHE | |
| SCHEMBL7722975 | 0.70 | HTR1A (0.43) | — | |
| Hydrochloric Acid SCHEMBL7727011 | 0.70 | KDM4E (0.43) | ALDH1A1MAPTHPGDTSHRRAB9A | |
| Hydrochloric Acid SCHEMBL7882760 | 0.69 | HTR1A (0.42) | MAPTLMNA | |
| SCHEMBL7964016 | 0.69 | KMT2A (0.36) | ALDH1A1MAPTHPGDTSHRRAB9A |
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 |