Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 6/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.40 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.40 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL27936442 | 0.88 | RXFP1 (0.45) | PDK2RXFP1THRBTDP1TSHR | |
| SCHEMBL30281291 | 0.84 | PDK2 (0.50) | PDK2THRBTDP1TSHRCYP3A4 | |
| SCHEMBL19039047 | 0.84 | PDK2 (0.50) | PDK2THRBTDP1TSHRCYP3A4 | |
| SCHEMBL30345614 | 0.82 | THRB (0.52) | PDK2RXFP1THRBTDP1P2RX1 | |
| SCHEMBL813078 | 0.82 | THRB (0.52) | PDK2RXFP1THRBTDP1P2RX1 | |
| SCHEMBL24123357 | 0.81 | PDK2 (0.44) | PDK2RXFP1THRBTDP1HSD11B1 | |
| SCHEMBL17816933 | 0.80 | THRB (0.50) | PDK2RXFP1THRBTDP1P2RX1 | |
| SCHEMBL10472443 | 0.79 | CHRM2 (0.43) | RXFP1CYP3A4P2RX1P2RX3P2RX4 | |
| SCHEMBL11627683 | 0.79 | PDK2 (0.46) | PDK2RXFP1THRBTDP1P2RX1 | |
| SCHEMBL31576206 | 0.78 | PDK2 (0.45) | PDK2THRBTDP1P2RX1P2RX3 |
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-4251655-A | GASTRIC ACID ANTISECRETORY AGENTS | MCNEILAB, INC. (US) | 1981-02-17 | — | — | US | disclosed |