Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.51 |
| ▸ | RAD52 | P43351 | 1/20 | 0.50 |
| ▸ | PDGFRB | P09619 | 5/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28281503 | 0.89 | PDE10A (0.54) | PDE10ARAD52PDGFRBPDGFRAKDM4E | |
| SCHEMBL6631633 | 0.88 | RAD52 (0.53) | PDE10ARAD52PDGFRBPDGFRAEGFR | |
| SCHEMBL6616005 | 0.88 | PDPK1 (0.51) | PDGFRBPDGFRAALDH1A1SMN1; SMN2PDPK1 | |
| SCHEMBL28118851 | 0.79 | RAD52 (0.67) | PDE10ARAD52KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6615366 | 0.78 | RAB9A (0.51) | PDGFRBPDGFRAKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6618226 | 0.77 | PDPK1 (0.54) | PDE10AKDM4ESMN1; SMN2PDPK1 | |
| SCHEMBL30159718 | 0.77 | CA12 (0.56) | PDE10ARAD52KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28118318 | 0.77 | CA12 (0.56) | PDE10ARAD52KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL1132076 | 0.77 | TDP1 (0.50) | KDM4EALDH1A1SMN1; SMN2IDO1TDO2 | |
| SCHEMBL6360527 | 0.77 | RAD52 (0.47) | PDE10ARAD52PDGFRBPDGFRAKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1042294-B1 | HETEROCYCLIC CYTOTOXIC AGENTS | UNIV RUTGERS (US) | 2004-08-11 | — | — | EP | disclosed |
| US-6486167-B1 | Heterocyclic cytotoxic agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2002-11-26 | — | — | US | disclosed |
| EP-1042294-A1 | HETEROCYCLIC CYTOTOXIC AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999031067-A1 | HETEROCYCLIC CYTOTOXIC AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 1999-06-24 | — | — | WO | disclosed |