Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 3/20 | 0.42 |
| ▸ | CES1 | P23141 | 3/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7500360 | 1.00 | ALDH1A1 (0.43) | ALDH1A1HTTNPSR1LMNATDP1 | |
| SCHEMBL7500354 | 1.00 | ALDH1A1 (0.43) | ALDH1A1HTTNPSR1LMNATDP1 | |
| SCHEMBL18789917 | 0.90 | ALDH5A1 (0.37) | ALDH1A1LMNATDP1PKMSMN1; SMN2 | |
| SCHEMBL18746069 | 0.82 | ALDH1A1 (0.40) | ALDH1A1HTTNPSR1LMNATDP1 | |
| SCHEMBL12786451 | 0.79 | CES2 (0.41) | LMNAATMHPGDCES2CES1 | |
| SCHEMBL19301051 | 0.79 | CES2 (0.41) | CES2CES1TGM2ACHEMAPT | |
| SCHEMBL21689751 | 0.79 | CES2 (0.41) | LMNAATMHPGDCES2CES1 | |
| SCHEMBL19216109 | 0.79 | ALDH1A1 (0.38) | ALDH1A1HTTNPSR1LMNATDP1 | |
| SCHEMBL1073772 | 0.78 | AKT1 (0.50) | ALDH1A1NPSR1LMNATDP1ATM | |
| SCHEMBL1073773 | 0.78 | AKT1 (0.50) | ALDH1A1NPSR1LMNATDP1ATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-3180315-B1 | PYRAZOLES | JANSSEN PHARMACEUTICALS INC (US) | 2020-03-18 | — | — | EP | disclosed |