Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | RHOC | P08134 | 2/20 | 0.38 |
| ▸ | RHOA | P61586 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10683977 | 0.83 | CES2 (0.59) | CES2P2RX1ACP3HDAC3 | |
| SCHEMBL23091832 | 0.78 | CES2 (0.64) | CES2GAATACR1P2RX1HDAC3 | |
| SCHEMBL30989543 | 0.78 | CES2 (0.64) | CES2GAATACR1P2RX1HDAC3 | |
| SCHEMBL19281439 | 0.76 | CES2 (0.61) | CES2GAATACR1P2RX1HDAC3 | |
| SCHEMBL5368857 | 0.75 | CES2 (0.59) | CES2GAATACR1P2RX1HDAC3 | |
| SCHEMBL5362838 | 0.75 | CES2 (0.59) | CES2GAATACR1P2RX1HDAC3 | |
| SCHEMBL15244672 | 0.75 | CES2 (0.59) | CES2GAATACR1P2RX1HDAC3 | |
| SCHEMBL630414 | 0.75 | PTPN1 (0.66) | CES2GAATACR1P2RX1HDAC3 | |
| SCHEMBL5898589 | 0.75 | CES2 (0.59) | CES2GAATACR1P2RX1HDAC3 | |
| Hydrochloric Acid SCHEMBL15229008 | 0.73 | CES2 (0.57) | CES2GAATACR1P2RX1HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5663352-A | 4-phenyl-4-phenylpropyl(enyl)-piperidines as tachykinin antagonists | MERCK SHARP & DOHME LIMITED (GB) | 1997-09-02 | — | — | US | disclosed |
| WO-1995004042-A1 | 4-PHENYL-4-PHENYLPROPYL(ENYL)-PIPERIDINES AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-02-09 | — | — | WO | disclosed |