Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.33 |
| ▸ | KLK1 | P06870 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1770541 | 0.86 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL4743329 | 0.82 | ALDH1A1 (0.56) | ALDH1A1KDM4EMAPTSCN5AMEN1 | |
| SCHEMBL10153418 | 0.82 | NR5A1 (0.44) | ALDH1A1SMN1; SMN2HTTKDM4ETHRA | |
| SCHEMBL8297104 | 0.78 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2HTTKDM4EMAPT | |
| SCHEMBL14430044 | 0.75 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL10768133 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTSCN5AMEN1 | |
| SCHEMBL6484469 | 0.74 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL6132790 | 0.73 | MEN1 (0.54) | ALDH1A1KDM4ETDP1MAPTMEN1 | |
| SCHEMBL11241141 | 0.72 | KMT2A (0.47) | ALDH1A1KDM4ETDP1MAPTMEN1 | |
| SCHEMBL3073425 | 0.72 | SMN1; SMN2 (0.59) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT |
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-2008107320-A1 | PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS | CEREP (FR) | 2008-09-12 | — | — | WO | disclosed |