Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 7/20 | 0.64 |
| ▸ | TNF | P01375 | 4/20 | 0.64 |
| ▸ | USP2 | O75604 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.64 |
| ▸ | ACHE | P22303 | 1/20 | 0.64 |
| ▸ | PDE4A | P27815 | 1/20 | 0.64 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.64 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.64 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.64 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.64 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.58 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6780377 | 0.89 | ADORA2B (0.62) | ADORA2BTNFUSP2LMNACYP1A2 | |
| SCHEMBL6780041 | 0.88 | ADORA2B (0.65) | ADORA2BTNFUSP2LMNACYP1A2 | |
| Lisofylline SCHEMBL10508600 | 0.86 | ADORA2B (0.66) | ADORA2BTNFUSP2LMNACYP1A2 | |
| SCHEMBL19187720 | 0.86 | ADORA2B (0.62) | ADORA2BTNFUSP2LMNACYP1A2 | |
| SCHEMBL7273282 | 0.86 | ADORA2B (0.62) | ADORA2BTNFUSP2LMNACYP1A2 | |
| SCHEMBL9027091 | 0.86 | ADORA2B (0.57) | ADORA2BTNFUSP2LMNACYP1A2 | |
| SCHEMBL9293614 | 0.85 | ADORA2B (0.71) | ADORA2BTNFUSP2LMNACYP1A2 | |
| SCHEMBL9293971 | 0.85 | ADORA2B (0.65) | ADORA2BTNFUSP2LMNACYP1A2 | |
| SCHEMBL7284106 | 0.85 | ADORA2B (0.65) | ADORA2BTNFUSP2LMNACYP1A2 | |
| SCHEMBL8071859 | 0.85 | ADORA2B (0.58) | ADORA2BTNFUSP2LMNACYP1A2 |
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 |