Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CTSS | P25774 | 3/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27730480 | 0.87 | HPGD (0.55) | CASRALDH1A1HPGDMAPTHDAC1 | |
| SCHEMBL9743559 | 0.85 | CASR (0.43) | CASRALDH1A1HPGDCTSSCTSK | |
| SCHEMBL4182248 | 0.84 | CASR (0.43) | CASRALDH1A1HPGDCTSSCTSK | |
| SCHEMBL4177603 | 0.82 | TSHR (0.46) | CASRALDH1A1HPGDCTSSCTSK | |
| SCHEMBL9743469 | 0.77 | ALDH1A1 (0.49) | ALDH1A1HPGDCTSSMAPTCTSL | |
| SCHEMBL20187564 | 0.77 | AKT1 (0.60) | ALDH1A1CTSSAKT1CTSLCTSB | |
| SCHEMBL9540577 | 0.77 | CKS1B (0.49) | ALDH1A1HPGDCTSSAKT1CTSL | |
| SCHEMBL4743853 | 0.74 | KMT2A (0.55) | CTSSCTSKCTSLCTSBHDAC3 | |
| SCHEMBL6437793 | 0.73 | MEN1 (0.42) | CASRALDH1A1CTSSAKT1CTSL | |
| SCHEMBL782348 | 0.73 | AKT1 (0.55) | CTSSAKT1CTSLCTSBNR1D1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5098996-A | Fluorination of compounds for use in diagnosis of nuclear medicine | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1992-03-24 | — | — | US | disclosed |