Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | RAD52 | P43351 | 3/20 | 0.31 |
| ▸ | RECQL | P46063 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.31 |
| ▸ | APEX1 | P27695 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30096747 | 0.84 | DPP4 (0.38) | — | |
| SCHEMBL2556351 | 0.84 | DPP4 (0.38) | — | |
| SCHEMBL15797295 | 0.82 | MEN1 (0.32) | CYP3A4HSD17B10ADRB2ADRA2AADRA2B | |
| SCHEMBL5702186 | 0.82 | NPSR1 (0.35) | ERN1CYP3A4HSD17B10MEN1KMT2A | |
| SCHEMBL2012031 | 0.78 | ERN1 (0.33) | ERN1CYP3A4MEN1KMT2ANPSR1 | |
| SCHEMBL9952911 | 0.78 | CYP3A4 (0.35) | ERN1CYP3A4HSD17B10MEN1KMT2A | |
| SCHEMBL1498785 | 0.77 | ALDH1A1 (0.43) | CA9ERN1CYP3A4MEN1KMT2A | |
| SCHEMBL12044545 | 0.77 | ESR1 (0.41) | MEN1KMT2ARECQLTDP1APEX1 | |
| SCHEMBL30990293 | 0.77 | KDM1A (0.36) | — | |
| SCHEMBL12486984 | 0.77 | KDM1A (0.36) | TDP1 |
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-1673366-A1 | 1-\"2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS | Pfizer, Inc. (US) | 2006-06-28 | — | — | EP | disclosed |
| WO-2005035522-A1 | 1-‘2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL!-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS | PFIZER JAPAN, INC. (JP) | 2005-04-21 | — | — | WO | disclosed |