Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGAV | P06756 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.33 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.32 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL440959 | 0.76 | CES2 (0.58) | IDO1CES2ITGB3ITGAVTSHR | |
| SCHEMBL12964480 | 0.76 | CES2 (0.42) | IDO1CES2ITGB3ITGAVTACR1 | |
| SCHEMBL5537293 | 0.76 | CES2 (0.42) | IDO1CES2ITGB3ITGAVTACR1 | |
| SCHEMBL7694014 | 0.74 | TACR1 (0.43) | IDO1CES2TACR1TSHRP2RX1 | |
| SCHEMBL657091 | 0.74 | TACR1 (0.43) | IDO1CES2TACR1P2RX1 | |
| SCHEMBL5535744 | 0.74 | CES2 (0.41) | IDO1CES2ITGB3ITGAVTACR1 | |
| SCHEMBL15800804 | 0.72 | TSHR (0.48) | IDO1CES2TSHRMAPK1TDO2 | |
| SCHEMBL12937113 | 0.72 | CES2 (0.39) | IDO1CES2TACR1TSHRMAPK1 | |
| SCHEMBL16345980 | 0.70 | CES2 (0.48) | IDO1CES2ITGB3ITGAVTACR1 | |
| SCHEMBL15323725 | 0.70 | ALDH1A1 (0.43) | IDO1CES2ITGB3ITGAVTACR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003007955-A2 | BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2003-01-30 | — | — | WO | claimed |