Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| 1,2-Dipropoxybenzene SCHEMBL29428926 | 0.97 | CYP1A2 (0.56) | CYP1A2CYP2C19CYP2C9KDM4EL3MBTL1 | |
| 1,2-Dipropoxybenzene SCHEMBL578657 | 0.97 | CYP1A2 (0.56) | CYP1A2CYP2C19CYP2C9KDM4EL3MBTL1 | |
| 1-Ethoxy-2-Propoxybenzene SCHEMBL2919156 | 0.90 | L3MBTL1 (0.64) | CYP1A2CYP2C19CYP2C9KDM4EL3MBTL1 | |
| 1-Propoxy-2-Butoxybenzene SCHEMBL2846696 | 0.90 | CYP1A2 (0.67) | CYP1A2CYP2C19CYP2C9KDM4EL3MBTL1 | |
| SCHEMBL10995601 | 0.90 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9KDM4EL3MBTL1 | |
| 1-Methoxy-2-Propoxybenzene SCHEMBL791386 | 0.88 | L3MBTL1 (0.60) | L3MBTL1MAPTLMNATDP1NPC1 | |
| 1-Methoxy-2-Propoxybenzene SCHEMBL30827433 | 0.88 | L3MBTL1 (0.60) | L3MBTL1MAPTLMNATDP1NPC1 | |
| SCHEMBL23267299 | 0.86 | L3MBTL1 (0.55) | CYP1A2CYP2C19CYP2C9KDM4EL3MBTL1 | |
| SCHEMBL7611817 | 0.86 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9KDM4EL3MBTL1 | |
| SCHEMBL7470539 | 0.86 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9KDM4EL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5672588-A | Purine derivatives | NOVO NORDISK A/S (DK) | 1997-09-30 | — | — | US | disclosed |
| EP-0603348-A1 | PURINE DERIVATIVES | NOVO NORDISK A/S (DK) | 1994-06-29 | — | — | EP | disclosed |
| WO-1993023418-A1 | PURINE DERIVATIVES | NOVO NORDISK A/S (DK) | 1993-11-25 | — | — | WO | disclosed |