Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | CCR6 | P51684 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11011200 | 0.86 | ALDH1A1 (0.54) | ALDH1A1HSP90AA1PKMCCR6ATM | |
| SCHEMBL15533384 | 0.85 | ALDH1A1 (0.48) | ALDH1A1TDP1POLBNPC1GAA | |
| SCHEMBL18396292 | 0.84 | GAA (0.50) | ALDH1A1HSP90AA1PKMCCR6ATM | |
| SCHEMBL28529587 | 0.83 | LMNA (0.57) | ALDH1A1HSP90AA1PKMCCR6ATM | |
| SCHEMBL28325052 | 0.83 | NPC1 (0.62) | ALDH1A1HSP90AA1PKMCCR6ATM | |
| SCHEMBL10684744 | 0.82 | NPC1 (0.65) | ALDH1A1HSP90AA1PKMCCR6ATM | |
| SCHEMBL3084334 | 0.81 | NPC1 (0.68) | ALDH1A1SMN1; SMN2MAPTHTTNPC1 | |
| SCHEMBL3407551 | 0.79 | HTR6 (0.66) | ALDH1A1HSP90AA1PKMCCR6ATM | |
| SCHEMBL2323487 | 0.79 | ALDH1A1 (0.64) | ALDH1A1HSP90AA1PKMCCR6ATM | |
| SCHEMBL1667519 | 0.77 | LMNA (0.42) | TDP1LMNASMN1; SMN2MAPTHTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0580644-B1 | 1,3,4-TRISUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE | BASF AG (DE) | 1995-06-28 | — | — | EP | disclosed |
| EP-0580644-A1 | 1,3,4-TRISUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE. | BASF AG (DE) | 1994-02-02 | — | — | EP | disclosed |
| WO-1992018479-A1 | SUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE | BASF AKTIENGESELLSCHAFT (DE) | 1992-10-29 | — | — | WO | disclosed |
| WO-1992018480-A1 | 1,3,4-TRISUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE | BASF AKTIENGESELLSCHAFT (DE) | 1992-10-29 | — | — | WO | disclosed |