Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL487765 | 0.98 | — | — | |
| SCHEMBL31421766 | 0.98 | — | — | |
| Bromide SCHEMBL28265555 | 0.95 | P2RX7 (0.44) | P2RX7FFAR1GABRA5GABRA1GABRB2 | |
| Acetic Acid SCHEMBL28688767 | 0.88 | P2RX7 (0.47) | P2RX7FFAR1GABRA1GABRB2CYP2C9 | |
| Acetic Acid SCHEMBL7435578 | 0.86 | P2RX7 (0.46) | P2RX7FFAR1GABRA1GABRB2CYP2C9 | |
| SCHEMBL10750692 | 0.86 | NMT1 (0.42) | P2RX7FFAR1GABRA5GABRA1GABRB2 | |
| SCHEMBL2650778 | 0.82 | — | — | |
| SCHEMBL7075262 | 0.80 | GRM5 (0.50) | P2RX7FFAR1GABRA5CYP2C9NAMPT | |
| SCHEMBL22931645 | 0.79 | VHL (0.44) | P2RX7KDM4EALDH1A1MKNK1MKNK2 | |
| SCHEMBL904436 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110520127-A | Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 | TAKEDA PHARMACEUTICALS CO | 2019-11-29 | — | — | CN | disclosed |
| EP-2066631-A1 | PYRIDINE BORANE COMPLEXES | BASF SE (DE) | 2009-06-10 | — | — | EP | disclosed |
| WO-2008034886-A1 | PYRIDINE BORANE COMPLEXES | BASF SE (DE) | 2008-03-27 | — | — | WO | disclosed |