Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 2/20 | 0.36 |
| ▸ | CHUK | O15111 | 2/20 | 0.36 |
| ▸ | YTHDC1 | Q96MU7 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | P2RY1 | P47900 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL10394052 | 0.88 | HDAC1 (0.39) | YTHDC1NPC1RAB9ASMN1; SMN2HDAC1 | |
| SCHEMBL18175167 | 0.88 | LMNA (0.37) | IKBKBCHUKYTHDC1P2RY1PDE4A | |
| SCHEMBL19036600 | 0.87 | YTHDC1 (0.37) | IKBKBCHUKYTHDC1NPC1RAB9A | |
| SCHEMBL10280149 | 0.80 | TRPA1 (0.36) | IKBKBCHUKYTHDC1HDAC1P2RY1 | |
| SCHEMBL19036512 | 0.78 | P2RY1 (0.37) | IKBKBCHUKYTHDC1HDAC1P2RY1 | |
| SCHEMBL29188197 | 0.77 | POLB (0.41) | SMN1; SMN2P2RY1ADORA2A | |
| SCHEMBL27967273 | 0.76 | KMT2A (0.42) | IKBKBCHUKYTHDC1P2RY1 | |
| SCHEMBL9010481 | 0.75 | CYP2C19 (0.34) | NPC1RAB9ASMN1; SMN2HDAC1TP53 | |
| SCHEMBL20079775 | 0.75 | PTGS2 (0.43) | TP53 | |
| SCHEMBL27891680 | 0.74 | CYP2C19 (0.37) | YTHDC1NPC1RAB9ASMN1; SMN2HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-1180883-A | — | — | None | — | — | JP | disclosed |
| US-5550041-A | PRODUCING 3-METHYL-7-ALKYLXANTHINE BY CULTIVATING PSEUDOMONAS TRANSFORMED TO PRODUCE CAFFEINE DEMETHYLASE IN NUTRIENT MEDIUM CONTAINING 1,3-DIMETHYL-7-ALKYLXANTHINE | AMANO PHARMACEUTICAL CO., LTD. (JP) | 1996-08-27 | — | — | US | disclosed |
| JP-H01180883-A | PRODUCTION OF 3-METHYL-7-PROPYLXANTHINE AND SYNTHETIC INTERMEDIATE THEREOF | SHIRATORI SEIYAKU KK | 1989-07-18 | — | — | JP | disclosed |