Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.62 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.62 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.61 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.61 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.61 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL7282937 | 0.81 | ADORA1 (0.65) | ADORA2AADORA2BSIRT1SIRT3SIRT5 | |
| SCHEMBL27713795 | 0.79 | SIRT1 (0.68) | ADORA2AADORA2BSIRT1SIRT3SIRT5 | |
| SCHEMBL9546979 | 0.78 | SIRT1 (0.68) | ADORA2AADORA2BSIRT1SIRT3SIRT5 | |
| SCHEMBL1063544 | 0.78 | SIRT1 (0.68) | ADORA2AADORA2BSIRT1SIRT3SIRT5 | |
| SCHEMBL8374178 | 0.78 | KDM4E (0.59) | ADORA2AADORA2BADORA1KDM4EMEN1 | |
| SCHEMBL10420652 | 0.77 | SIRT1 (0.66) | ADORA2BSIRT1SIRT3SIRT5ADORA1 | |
| SCHEMBL9708416 | 0.77 | ADORA1 (0.71) | ADORA2AADORA2BSIRT1SIRT3SIRT5 | |
| SCHEMBL4780088 | 0.75 | ADORA1 (0.73) | ADORA2AADORA2BSIRT1SIRT3SIRT5 | |
| SCHEMBL3369548 | 0.75 | ADORA2B (0.58) | ADORA2AADORA2BADORA1KDM4EALDH1A1 | |
| SCHEMBL9430500 | 0.75 | ADORA2A (0.60) | ADORA2AADORA2BSIRT1SIRT3SIRT5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4696932-A | ANTIALLERGENS, ANTIHISTAMINES, CARDIOTONIC AGENTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1987-09-29 | — | — | US | disclosed |
| US-4612315-A | Biologically-active 1,3-dipropyl-8-phenylxanthine derivatives | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1986-09-16 | — | — | US | disclosed |