Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7650927 | 0.84 | TSHR (0.41) | SLC6A2SLC6A4SLC6A3KMT2AKDM4E | |
| SCHEMBL7651639 | 0.78 | TSHR (0.38) | CYP2D6SLC6A2SLC6A4SLC6A3KMT2A | |
| SCHEMBL7645872 | 0.71 | BCHE (0.36) | CYP2D6KDM4EALDH1A1MAPK1CYP2C9 | |
| SCHEMBL28275848 | 0.67 | SRC (0.50) | CYP2D6SRCLMNAMAPK1CYP1A2 | |
| SCHEMBL536278 | 0.66 | KDM4E (0.41) | SLC6A2SLC6A4SLC6A3KMT2AKDM4E | |
| SCHEMBL536277 | 0.66 | KDM4E (0.41) | SLC6A2SLC6A4SLC6A3KMT2AKDM4E | |
| SCHEMBL304924 | 0.66 | KDM4E (0.41) | SLC6A2SLC6A4SLC6A3KMT2AKDM4E | |
| SCHEMBL8460780 | 0.66 | CYP2D6 (0.50) | CYP2D6SLC6A2SLC6A4SLC6A3KMT2A | |
| SCHEMBL6803687 | 0.65 | SLC6A2 (0.58) | CYP2D6SLC6A2SLC6A4SLC6A3KMT2A | |
| SCHEMBL1817566 | 0.65 | SRC (0.52) | CYP2D6KMT2AMEN1SRCLMNA |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002515040-A | — | — | 2002-05-21 | — | — | JP | claimed |
| EP-0954295-A1 | METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1999-11-10 | — | — | EP | claimed |
| WO-1997048409-A1 | METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1997-12-24 | — | — | WO | claimed |