Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL8458492 | 0.76 | CYP2D6 (0.47) | CYP2D6SRCALOX5LMNAMAPK1 | |
| SCHEMBL8460780 | 0.75 | CYP2D6 (0.50) | CYP2D6SRCLMNAKMT2ASLC6A2 | |
| SCHEMBL18734632 | 0.74 | CYP2D6 (0.50) | CYP2D6IDO1TDO2HPGDSRC | |
| SCHEMBL27862589 | 0.73 | CYP2D6 (0.47) | CYP2D6IDO1TDO2SRCALOX5 | |
| SCHEMBL8461160 | 0.73 | SMN1; SMN2 (0.47) | CYP2D6HPGDLMNASLC6A2SLC6A3 | |
| SCHEMBL7650063 | 0.72 | LCK (0.34) | ALOX5LCKFYNDAO | |
| SCHEMBL8580097 | 0.72 | TDP1 (0.48) | CYP2D6IDO1TDO2HPGDSRC | |
| SCHEMBL15768409 | 0.70 | IDO1 (0.40) | IDO1TDO2HPGDALOX5SLC6A2 | |
| SCHEMBL8460781 | 0.70 | CYP2D6 (0.47) | CYP2D6LMNASLC6A2SLC6A3 | |
| SCHEMBL14671259 | 0.70 | ALOX5 (0.42) | CYP2D6IDO1TDO2HPGDALOX5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0936914-A1 | HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1999-08-25 | — | — | EP | disclosed |
| EP-0936914-A4 | — | — | 1999-08-25 | — | — | EP | disclosed |
| WO-1997048400-A1 | HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1997-12-24 | — | — | WO | disclosed |