Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL1274782 | 0.79 | CA1 (0.46) | ALDH1A1KDM4ELMNATDP1HPGD | |
| SCHEMBL7459866 | 0.79 | IDO1 (0.36) | ALDH1A1TDP1HPGDADRA2BCYP1A2 | |
| SCHEMBL2091154 | 0.76 | TSHR (0.42) | ALDH1A1HTR1ALMNAHPGDGAA | |
| SCHEMBL11382454 | 0.75 | ALDH1A1 (0.44) | ALDH1A1HTR1AKDM4ETDP1ADRA1D | |
| SCHEMBL7006398 | 0.75 | CA1 (0.38) | IRAK4ALDH1A1ACHEKDM4ETDP1 | |
| SCHEMBL1819088 | 0.73 | IRAK4 (0.39) | IRAK4ALDH1A1ACHEHTR1ATLR8 | |
| SCHEMBL16960318 | 0.73 | IRAK4 (0.39) | IRAK4ALDH1A1ACHEHTR1ATLR8 | |
| SCHEMBL161636 | 0.72 | IRAK4 (0.38) | IRAK4ALDH1A1ACHETLR8MCHR1 | |
| SCHEMBL16962525 | 0.72 | IRAK4 (0.38) | IRAK4ALDH1A1ACHEHTR1ATLR8 | |
| SCHEMBL9673377 | 0.72 | IRAK4 (0.42) | IRAK4ALDH1A1ACHEHTR1ATLR8 |
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 |