Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL10429321 | 0.79 | ADORA3 (0.39) | NOTUMALDH1A1CYP1A2HPGDCYP2C9 | |
| SCHEMBL10429361 | 0.79 | MAOB (0.36) | MAOBALDH1A1CYP1A2HPGDCYP2C9 | |
| SCHEMBL10429350 | 0.78 | KDR (0.36) | ALDH1A1HPGDALPLPDGFRB | |
| SCHEMBL10429322 | 0.78 | ALDH1A1 (0.37) | NOTUMCA12ADORA2AADORA1ALDH1A1 | |
| SCHEMBL10429367 | 0.77 | HPGD (0.47) | NOTUMALDH1A1CYP1A2HPGDCYP2C9 | |
| SCHEMBL10429323 | 0.76 | MAOB (0.40) | NOTUMMAOBADORA2AADORA1 | |
| SCHEMBL10429313 | 0.76 | NOTUM (0.38) | NOTUMCA12ALDH1A1HPGDALPL | |
| SCHEMBL10429364 | 0.75 | NOTUM (0.33) | NOTUMALDH1A1HPGD | |
| SCHEMBL7162696 | 0.74 | PDE4A (0.38) | MAOBADORA2AADORA1ALDH1A1HPGD | |
| SCHEMBL10429334 | 0.73 | NOTUM (0.40) | NOTUMSMN1; SMN2NPC1MAPTRAB9A |
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-0274654-A2 | 1,2,3-Triazin-4(3H)-one derivatives, process for their preparation and medicaments containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1988-07-20 | — | — | EP | claimed |
| US-4920119-A | XANTHINE OXIDASE INHIBITORS; CONTROL OR PREVENTION OF GOUT OR ISCHEMIA | HOFFMANN-LA ROCHE INC. (US) | 1990-04-24 | — | — | US | disclosed |