Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | F11 | P03951 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22075813 | 0.86 | NPC1 (0.44) | POLBKDM4ENPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL5953265 | 0.84 | KDM4E (0.55) | POLBKDM4ENPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL16792473 | 0.83 | NPC1 (0.42) | POLBKDM4ENPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2990695 | 0.82 | F11 (0.39) | POLBNPC1SMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL7911241 | 0.81 | NPC1 (0.40) | POLBKDM4ENPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL16792476 | 0.81 | KDM4E (0.51) | POLBKDM4ENPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8272037 | 0.80 | NPC1 (0.40) | POLBKDM4ENPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL14417641 | 0.79 | BRD4 (0.41) | KDM4ENPC1ALDH1A1HSD17B10 | |
| SCHEMBL5974128 | 0.75 | PDPK1 (0.40) | KDM4ENPC1SMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL5973964 | 0.74 | DGAT1 (0.40) | NPC1SMN1; SMN2ALDH1A1RAB9AF11 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1007514-B1 | HETEROCYCLIC KETONES AS NPY Y5 ANTAGONISTS | BAYER CORP (US) | 2006-11-15 | — | — | EP | disclosed |
| EP-1007514-A1 | HETEROCYCLIC KETONES AS NPY Y5 ANTAGONISTS | Bayer Corporation (US) | 2000-06-14 | — | — | EP | disclosed |
| WO-1999010330-A1 | HETEROCYCLIC KETONES AS NPY Y5 ANTAGONISTS | BAYER CORPORATION (US) | 1999-03-04 | — | — | WO | disclosed |