Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | DHFR | P00374 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 3/20 | 0.34 |
| ▸ | AGXT | P21549 | 2/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23295626 | 0.81 | IDH1 (0.44) | ALDH1A1 | |
| SCHEMBL9538789 | 0.78 | ALDH1A1 (0.46) | PTGS1ALDH1A1GAAHPGDIDO1 | |
| SCHEMBL12789510 | 0.74 | SKP2 (0.50) | LOXL2TAAR1PTGS1PTGS2ALDH1A1 | |
| SCHEMBL10702996 | 0.70 | CYP3A4 (0.48) | LOXL2ALDH1A1 | |
| SCHEMBL982159 | 0.70 | NOS2 (0.47) | ALDH1A1GAAMAPTAR | |
| SCHEMBL27858491 | 0.69 | IDH1 (0.46) | ALDH1A1 | |
| SCHEMBL9287333 | 0.69 | NPSR1 (0.53) | SLC2A1ALDH1A1HPGD | |
| SCHEMBL10886152 | 0.69 | CD44 (0.42) | TAAR1ALDH1A1HPGDAR | |
| SCHEMBL28208071 | 0.69 | CD44 (0.39) | ALDH1A1MAPTAR | |
| Hydrochloric Acid SCHEMBL7256311 | 0.69 | NOS2 (0.45) | ALDH1A1GAAAR |
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-0151826-B1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |
| EP-0145037-B1 | N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-01-18 | — | — | EP | disclosed |
| EP-0151826-A1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-08-21 | — | — | EP | disclosed |
| EP-0145037-A2 | N-(bicyclic heterocyclyl)-4-piperidinamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-06-19 | — | — | EP | disclosed |