Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN5 | P54829 | 5/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 3/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MDM4 | O15151 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11287918 | 0.77 | MAP4K4 (0.45) | CTSSCYP3A4MAPTTDP1 | |
| SCHEMBL24720992 | 0.76 | PTPN5 (0.52) | PTPN5RXRARXRBRXRGAKR1C3 | |
| SCHEMBL7705833 | 0.76 | GAA (0.45) | ARKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL15340840 | 0.74 | PTPN5 (0.49) | PTPN5AKR1C3AKR1C2AR | |
| SCHEMBL7465724 | 0.74 | KIF11 (0.41) | NR1H2NR1H3KDM4EALDH1A1MAPT | |
| SCHEMBL7707666 | 0.74 | PTPN5 (0.43) | PTPN5RXRARXRBRXRGAKR1C3 | |
| SCHEMBL8104090 | 0.73 | P2RX7 (0.41) | PTPN5NR1H2NR1H3ARCTSS | |
| SCHEMBL22699905 | 0.73 | PTPN5 (0.50) | PTPN5RXRARXRBRXRGNR1H2 | |
| SCHEMBL24721248 | 0.73 | KIF11 (0.56) | PTPN5RXRARXRBRXRG | |
| SCHEMBL24726648 | 0.72 | PTPN5 (0.43) | PTPN5RXRARXRBRXRGAKR1C3 |
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-1242399-A1 | $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB S.A. (BE) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001046167-A1 | α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB, S.A. (BE) | 2001-06-28 | — | — | WO | disclosed |