Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 10/20 | 0.46 |
| ▸ | NPC1 | O15118 | 9/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
| ▸ | WNT3A | P56704 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28137167 | 0.82 | ABCG2 (0.67) | ABCG2RAB9ANPC1SMN1; SMN2TDP1 | |
| Glycolic Acid SCHEMBL28363241 | 0.79 | ABCG2 (0.61) | ABCG2RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| Bicarbonate SCHEMBL8542900 | 0.78 | ABCG2 (0.74) | ABCG2RAB9ANPC1SMN1; SMN2GAA | |
| Acetic Acid Methyl Ester SCHEMBL27675432 | 0.77 | ABCG2 (0.58) | ABCG2RAB9ANPC1SMN1; SMN2TDP1 | |
| Phthalic Acid SCHEMBL28536019 | 0.75 | ALDH1A1 (0.61) | SMN1; SMN2TDP1GAAKDM4EALDH1A1 | |
| Biphenyl SCHEMBL8077261 | 0.74 | SMN1; SMN2 (0.52) | RAB9ANPC1SMN1; SMN2GAAKDM4E | |
| Biphenyl SCHEMBL27519918 | 0.74 | SMN1; SMN2 (0.52) | RAB9ANPC1SMN1; SMN2GAAKDM4E | |
| Acetoacetic Acid SCHEMBL7556350 | 0.73 | HPGD (0.44) | TDP1GAAALDH1A1MAPTHPGD | |
| SCHEMBL27798753 | 0.73 | ABCG2 (0.58) | ABCG2RAB9ANPC1SMN1; SMN2TDP1 | |
| Acetoacetic Acid SCHEMBL28221327 | 0.73 | KDM4E (0.50) | TDP1GAAKDM4EALDH1A1MAPT |
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 |