Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.46 |
| ▸ | MC3R | P41968 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.46 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.46 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TNF | P01375 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6773717 | 1.00 | ADORA2B (0.46) | ADORA2BACHEPIK3CDPOLBADORA3 | |
| SCHEMBL8076046 | 0.85 | ADORA2B (0.51) | ADORA2BACHEPIK3CDPOLBADORA3 | |
| SCHEMBL8952269 | 0.85 | ADORA2B (0.51) | ADORA2BACHEPIK3CDPOLBADORA3 | |
| SCHEMBL8072026 | 0.85 | ADORA2B (0.51) | ADORA2BACHEPIK3CDPOLBADORA3 | |
| SCHEMBL9295135 | 0.83 | ADORA2B (0.52) | ADORA2BACHEPIK3CDPOLBADORA3 | |
| SCHEMBL8699282 | 0.80 | ADORA2B (0.66) | ADORA2BACHELMNASMN1; SMN2TNF | |
| SCHEMBL6778919 | 0.80 | ADORA2B (0.66) | ADORA2BACHELMNASMN1; SMN2TNF | |
| SCHEMBL6778207 | 0.80 | ADORA2B (0.66) | ADORA2BACHELMNASMN1; SMN2TNF | |
| SCHEMBL8700060 | 0.80 | ADORA2B (0.66) | ADORA2BACHELMNASMN1; SMN2TNF | |
| SCHEMBL6774460 | 0.80 | ADORA2B (0.66) | ADORA2BACHELMNASMN1; SMN2TNF |
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-6693105-B1 | USING XANTHINYL DERIVATIVES TO REDUCE TREATMENT INDUCED TOXICITY; INHIBITING CELLULAR SIGNALING THROUGH SECOND MESSENGER PATHWAY; REDUCING CELLULAR LEVEL OF NONARACHI-DONATE PHOSPHATIDIC ACID AND DIACYLGLYCEROL | CELL THERAPEUTICS, INC. | 2004-02-17 | — | — | US | disclosed |
| US-6133274-A | TREATING DISEASE MEDIATED BY INTRACELLULAR SIGNALING THROUGH ONE OR TWO SPECIFIC INTRACELLULAR SIGNALING PATHWAYS; A XANTHINYL HAVING AT LEAST ONE NITROGEN SUBSTITUTED BY AN HYDROXYALKYL; ANTITUMOR,-CARCINOGENIC,-ARTHRITIC AGENTS | CELL THERAPEUTICS, INC. (US) | 2000-10-17 | — | — | US | disclosed |
| US-5780476-A | ADMINISTERING TO TREAT INFLAMMATORY DISEASE AND RHEUMATOID ARTHITIS | CELL THERAPEUTICS, INC. (US) | 1998-07-14 | — | — | US | disclosed |