Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.37 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 4/20 | 0.35 |
| ▸ | IDH2 | P48735 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29796472 | 0.81 | P2RX7 (0.44) | P2RX7MBOAT4NOTUMADRB1IDH1 | |
| SCHEMBL20001983 | 0.81 | P2RX7 (0.44) | P2RX7MBOAT4NOTUMADRB1IDH1 | |
| SCHEMBL249852 | 0.80 | GABRA1 (0.40) | ALDH1A1GABRA1 | |
| SCHEMBL15648728 | 0.79 | HCRTR1 (0.41) | — | |
| SCHEMBL129240 | 0.79 | P2RX7 (0.43) | P2RX7MBOAT4NOTUMADRB1IDH1 | |
| SCHEMBL317402 | 0.79 | P2RX7 (0.43) | P2RX7MBOAT4NOTUMADRB1IDH1 | |
| SCHEMBL1111276 | 0.76 | P2RX7 (0.41) | P2RX7MBOAT4NOTUMADRB1IDH1 | |
| SCHEMBL7035568 | 0.76 | P2RX7 (0.41) | P2RX7MBOAT4NOTUMADRB1IDH1 | |
| SCHEMBL24442229 | 0.75 | P2RX7 (0.43) | P2RX7MBOAT4NOTUMADRB1IDH1 | |
| SCHEMBL1020165 | 0.75 | P2RX7 (0.43) | P2RX7MBOAT4NOTUMADRB1IDH1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2004300058-A | METHOD FOR PRODUCING PYRIDINES CONTAINING TRIFLUOROMETHYL GROUP | NIPPON SODA CO LTD | 2004-10-28 | — | — | JP | disclosed |