Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Acetoacetic Acid SCHEMBL28188009 | 0.82 | CES2 (0.42) | RAB9ACES2CES1SMN1; SMN2NPC1 | |
| Acetoacetic Acid SCHEMBL6970875 | 0.76 | PTGS2 (0.41) | RAB9AMEN1KMT2APTGS2SMN1; SMN2 | |
| Acetoacetic Acid SCHEMBL28005292 | 0.76 | CES2 (0.46) | RAB9AMEN1KMT2ACES2CES1 | |
| SCHEMBL130515 | 0.74 | — | — | |
| SCHEMBL29441288 | 0.74 | — | — | |
| 2,5-Xylidine SCHEMBL11500767 | 0.72 | TDP1 (0.59) | RAB9AMEN1KMT2ASMN1; SMN2LMNA | |
| Acetoacetic Acid SCHEMBL9480459 | 0.72 | MEN1 (0.42) | MEN1KMT2ASMN1; SMN2LMNANPC1 | |
| Ammonia Solution, Strong SCHEMBL20593640 | 0.72 | NFE2L2 (0.60) | NFE2L2PTGS2CES2CES1SMN1; SMN2 | |
| Bromide SCHEMBL28031489 | 0.72 | NFE2L2 (0.60) | NFE2L2PTGS2CES2CES1SMN1; SMN2 | |
| Acetoacetic Acid SCHEMBL9704495 | 0.71 | NPC1 (0.50) | RAB9AMEN1KMT2APTGS2CES2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0773929-B1 | PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2001-10-31 | — | — | EP | disclosed |
| US-5654316-A | Piperidine derivatives as neurokinin antagonists | SCHERING CORPORATION (US) | 1997-08-05 | — | — | US | disclosed |