Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK2 | P51955 | 6/20 | 0.45 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 3/20 | 0.41 |
| ▸ | CDK2 | P24941 | 3/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | LYN | P07948 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8711624 | 0.82 | ADORA3 (0.40) | NEK2ADORA3ADORA1MAPK1 | |
| SCHEMBL536795 | 0.81 | NEK2 (0.43) | NEK2GDASTAT3CDK2ADORA3 | |
| SCHEMBL8715386 | 0.80 | NEK2 (0.42) | NEK2GDASTAT3CDK2ADORA3 | |
| SCHEMBL31506448 | 0.73 | GDA (0.55) | NEK2GDASTAT3ADORA3AURKA | |
| SCHEMBL887125 | 0.73 | GDA (0.55) | NEK2GDASTAT3SRCBRAF | |
| SCHEMBL750335 | 0.73 | GDA (0.55) | NEK2GDASTAT3ADORA3AURKA | |
| SCHEMBL3303363 | 0.72 | PIN1 (0.59) | GDASTAT3CDK2CDK1BRD4 | |
| SCHEMBL14938904 | 0.72 | GDA (0.54) | NEK2GDASRCBRAF | |
| SCHEMBL5197101 | 0.72 | GDA (0.54) | NEK2GDASTAT3SRCBRAF | |
| SCHEMBL803116 | 0.68 | NPSR1 (0.41) | ADORA3ADORA1MAPK1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5696265-A | ANTIRETROVIRAL; ANTITUNOR AGENT | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1997-12-09 | — | — | US | claimed |
| US-5686611-A | Nucleoside analogs | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1997-11-11 | — | — | US | claimed |
| US-5837871-A | PHOSPHONATE DERIVATIVES; ANTITUMOR AGENTS, VIRICIDES | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1998-11-17 | — | — | US | disclosed |
| US-5726174-A | VIRICIDES, ANTITUMOR AGENTS | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1998-03-10 | — | — | US | disclosed |
| US-5696265-A | ANTIRETROVIRAL; ANTITUNOR AGENT | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1997-12-09 | — | — | US | disclosed |
| US-5696265-A | ANTIRETROVIRAL; ANTITUNOR AGENT | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1997-12-09 | — | — | US | disclosed |
| US-5693798-A | ACTIVE AGAINST RETROVIRAL DISEASES; PROPHYLAXIS | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1997-12-02 | — | — | US | disclosed |
| US-5688778-A | VIRICIDES | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1997-11-18 | — | — | US | disclosed |
| US-5686611-A | Nucleoside analogs | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1997-11-11 | — | — | US | disclosed |
| US-5686611-A | Nucleoside analogs | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1997-11-11 | — | — | US | disclosed |
| EP-0398231-B1 | Nucleoside analogs | ACAD OF SCIENCE CZECH REPUBLIC (CZ) | 1997-07-16 | — | — | EP | disclosed |
| EP-0398231-A2 | Nucleoside analogs | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) | 1990-11-22 | — | — | EP | disclosed |