Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PDE9A | O76083 | 2/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 2/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.31 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8228728 | 0.78 | — | — | |
| SCHEMBL21211664 | 0.76 | GAA (0.39) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL8463363 | 0.64 | — | — | |
| SCHEMBL20644426 | 0.64 | MAPT (0.33) | CYP1A2PDE9APDE1CPDE4AADORA2A | |
| SCHEMBL27762431 | 0.61 | PDE4B (0.34) | CYP1A2PDE4B | |
| SCHEMBL2826206 | 0.60 | ADORA2B (0.44) | CYP1A2PDE4AADORA2APDE4BPDE4C | |
| SCHEMBL910645 | 0.60 | — | — | |
| SCHEMBL16285366 | 0.59 | MGLL (0.44) | CYP1A2 | |
| SCHEMBL31330327 | 0.58 | ADORA2A (0.33) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL31330241 | 0.58 | ADORA2A (0.33) | ADORA2A |
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-3397629-B1 | METALLOENZYME INHIBITOR COMPOUNDS | NQP 1598 LTD (KY) | 2023-04-19 | — | — | EP | claimed |
| WO-2024249959-A1 | COMPOSITIONS REDUCING THE EXPRESSION OR ACTIVITY OF C1 GALT1 FOR TREATING EWING SARCOMA | UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) | 2024-12-05 | — | — | WO | disclosed |
| EP-3397629-B1 | METALLOENZYME INHIBITOR COMPOUNDS | NQP 1598 LTD (KY) | 2023-04-19 | — | — | EP | disclosed |
| EP-3414216-B1 | ARYLATION OF ALIPHATIC AMINES | AAA CHEMISTRY APS (DK) | 2020-10-21 | — | — | EP | disclosed |