Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.51 |
| ▸ | HTR3B | O95264 | 1/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | HTR6 | P50406 | 1/20 | 0.51 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.51 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | REN | P00797 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16835454 | 0.84 | SMN1; SMN2 (0.63) | TP53CYP2C19LMNAALDH1A1GAA | |
| SCHEMBL14562469 | 0.83 | TP53 (0.53) | TP53SIGMAR1CYP2C19LMNABCHE | |
| SCHEMBL25300556 | 0.81 | HTR3E (0.55) | HTR3EHTR3BHTR3AHTR6HTR3D | |
| SCHEMBL27786090 | 0.81 | TP53 (0.51) | TP53SIGMAR1CYP2C19LMNABCHE | |
| SCHEMBL30409425 | 0.81 | TP53 (0.51) | TP53SIGMAR1RENALDH1A1GAA | |
| SCHEMBL31246118 | 0.80 | HTR1A (0.43) | TP53MAPTRENALDH1A1GAA | |
| SCHEMBL23851238 | 0.80 | HTR1A (0.43) | TP53MAPTRENALDH1A1GAA | |
| SCHEMBL10459212 | 0.80 | GAA (0.66) | TP53MAPTBCHEALDH1A1GAA | |
| SCHEMBL23064621 | 0.80 | SMN1; SMN2 (0.50) | TP53SIGMAR1LMNABCHEALDH1A1 | |
| SCHEMBL16167445 | 0.79 | SMN1; SMN2 (0.49) | TP53SIGMAR1CYP2C19LMNAALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013033250-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | QIAN XIANGPING (US) | 2013-03-07 | — | — | WO | disclosed |