Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 1.00 |
| ▸ | NPC1 | O15118 | 4/20 | 1.00 |
| ▸ | HPGD | P15428 | 3/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.72 |
| ▸ | MAPT | P10636 | 3/20 | 0.72 |
| ▸ | GAA | P10253 | 1/20 | 0.72 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.72 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.58 |
| ▸ | RELA | Q04206 | 2/20 | 0.58 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.58 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 3/20 | 0.50 |
| ▸ | DRD2 | P14416 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | HTR7 | P34969 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6179039 | 0.87 | NPC1 (0.76) | RAB9ASMN1; SMN2NPC1HPGDALDH1A1 | |
| SCHEMBL1667036 | 0.84 | NPC1 (0.72) | RAB9ASMN1; SMN2NPC1HPGDALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL7452391 | 0.83 | NPC1 (0.70) | RAB9ASMN1; SMN2NPC1HPGDALDH1A1 | |
| SCHEMBL1950317 | 0.81 | NPC1 (0.68) | RAB9ASMN1; SMN2NPC1HPGDL3MBTL1 | |
| SCHEMBL2097484 | 0.80 | RAB9A (0.67) | RAB9ASMN1; SMN2NPC1HPGDALDH1A1 | |
| SCHEMBL6647582 | 0.80 | RAB9A (0.67) | RAB9ASMN1; SMN2NPC1HPGDALDH1A1 | |
| SCHEMBL16808929 | 0.80 | RAB9A (0.67) | RAB9ASMN1; SMN2NPC1HPGDALDH1A1 | |
| SCHEMBL10313749 | 0.80 | RAB9A (0.67) | RAB9ASMN1; SMN2NPC1HPGDALDH1A1 | |
| SCHEMBL27394846 | 0.80 | NPC1 (0.65) | RAB9ASMN1; SMN2NPC1HPGDALDH1A1 | |
| SCHEMBL28727291 | 0.79 | SMN1; SMN2 (0.65) | RAB9ASMN1; SMN2NPC1HPGDALDH1A1 |
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 |