Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE9A | O76083 | 10/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 2/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | PDE8A | O60658 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5768395 | 0.85 | ADORA1 (0.48) | PDE9AADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL5770531 | 0.83 | KDM4E (0.39) | PDE9AKDM4EALDH1A1PKMHPGD | |
| SCHEMBL5769765 | 0.80 | ALDH1A1 (0.39) | ADORA3ADORA2AADORA2BADORA1KDM4E | |
| SCHEMBL5768107 | 0.79 | PDE9A (0.45) | PDE9ACNR1KDM4EALDH1A1PKM | |
| SCHEMBL5769017 | 0.78 | DAO (0.39) | ADORA3ADORA2AADORA2BADORA1KDM4E | |
| SCHEMBL5768281 | 0.76 | GPR84 (0.39) | ADORA3ADORA2AADORA2BADORA1KDM4E | |
| SCHEMBL5769313 | 0.75 | ALDH1A1 (0.47) | ADORA3ADORA2AADORA2BADORA1KDM4E | |
| SCHEMBL5768878 | 0.75 | EIF4E (0.36) | PDE9ACNR1KDM4EALDH1A1PKM | |
| SCHEMBL5769417 | 0.74 | ALDH1A1 (0.39) | KDM4EALDH1A1PKMHPGDMEN1 | |
| SCHEMBL5767198 | 0.73 | PDE9A (0.45) | PDE9A |
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-1687306-A1 | BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) | MERCK SHARP & DOHME LTD. (GB) | 2006-08-09 | — | — | EP | claimed |
| WO-2005049613-A1 | BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) | MERCK SHARP & DOHME LIMITED (GB) | 2005-06-02 | — | — | WO | claimed |