Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 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 | |
|---|---|---|---|---|
| SCHEMBL3708335 | 0.84 | ADORA2B (0.34) | ADORA2BALDH1A1ALOX12MAPTGPBAR1 | |
| SCHEMBL831210 | 0.81 | ADORA2B (0.49) | ADORA2BGAAHSD17B10TP53NPSR1 | |
| SCHEMBL833090 | 0.70 | ADORA2B (0.44) | ADORA2BGAAHSD17B10TP53NPSR1 | |
| SCHEMBL5560191 | 0.68 | KDM4E (0.56) | GAAHSD17B10TP53TSHRALDH1A1 | |
| SCHEMBL886958 | 0.67 | GLA (0.47) | TP53CYP1A2CYP3A4CYP2C19NPC1 | |
| SCHEMBL830786 | 0.66 | FFAR3 (0.40) | GAAHSD17B10TP53NPSR1CYP1A2 | |
| SCHEMBL7861019 | 0.64 | POLB (0.37) | GAAHSD17B10NPSR1NPC1ALDH1A1 | |
| SCHEMBL3707345 | 0.63 | ADORA2B (0.34) | ADORA2BALDH1A1HTT | |
| SCHEMBL16049982 | 0.63 | ALDH1A1 (0.39) | ADORA2BGAAHSD17B10CYP1A2NPC1 | |
| SCHEMBL11336599 | 0.63 | ADORA3 (0.42) | HSD17B10CYP1A2CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2197846-A1 | SUBSTITUTED 6-PHEYLNICOTINIC ACIDS AND THE USE THEREOF | Bayer Animal Health GmbH (DE) | 2010-06-23 | — | — | EP | disclosed |
| WO-2009033561-A1 | SUBSTITUTED 6-PHEYLNICOTINIC ACIDS AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-03-19 | — | — | WO | disclosed |