Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.41 |
| ▸ | PPARG | P37231 | 6/20 | 0.41 |
| ▸ | PPARD | Q03181 | 6/20 | 0.41 |
| ▸ | PPARA | Q07869 | 6/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | TLR2 | O60603 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7685045 | 0.85 | — | — | |
| SCHEMBL534933 | 0.82 | CES1 (0.58) | HAO1MAPTKMT2ACES1CES2 | |
| SCHEMBL380858 | 0.80 | KMT2A (0.56) | HAO1MAPTKMT2ACES1CES2 | |
| SCHEMBL30197621 | 0.79 | CES1 (0.55) | HAO1MAPTKMT2ACES1CES2 | |
| SCHEMBL30197707 | 0.79 | CES1 (0.55) | HAO1MAPTKMT2ACES1CES2 | |
| Hydrochloric Acid SCHEMBL29053917 | 0.79 | CES1 (0.55) | HAO1MAPTKMT2ACES1CES2 | |
| SCHEMBL17106085 | 0.78 | KMT2A (0.54) | HAO1MAPTKMT2ACES1CES2 | |
| SCHEMBL28473028 | 0.78 | KMT2A (0.54) | HAO1MAPTKMT2ACES1CES2 | |
| SCHEMBL11645400 | 0.77 | HAO1 (0.44) | HAO1MAPTKMT2ACES1CES2 | |
| SCHEMBL5917740 | 0.77 | HAO1 (0.64) | HAO1MAPTKMT2ACES1CES2 |
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-6376521-B1 | ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2002-04-23 | — | — | US | disclosed |
| WO-2000002861-A1 | A3 ADENOSINE RECEPTOR ANTAGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-01-20 | — | — | WO | disclosed |