Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CMA1 | P23946 | 1/20 | 0.30 |
| ▸ | GAPDH | P04406 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12273859 | 0.83 | ITGB2 (0.39) | PKMTSHRALDH1A1SMN1; SMN2MAOA | |
| SCHEMBL29376506 | 0.81 | ITGB2 (0.38) | TSHRALDH1A1MAPTSMN1; SMN2MAOA | |
| SCHEMBL12506162 | 0.79 | CA1 (0.39) | ALDH1A1MAPT | |
| SCHEMBL28358704 | 0.79 | NAMPT (0.35) | NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL20068267 | 0.79 | NAMPT (0.35) | NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL28371213 | 0.77 | CA1 (0.37) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL28366912 | 0.77 | CA1 (0.37) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL31534648 | 0.77 | CA1 (0.37) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL28397436 | 0.77 | CA1 (0.37) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL2404097 | 0.71 | — | — |
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-2800771-A1 | 2,5-FURAN DICARBOXYLIC ACID-BASED POLYESTERS PREPARED FROM BIOMASS | PepsiCo, Inc. (US) | 2014-11-12 | — | — | EP | disclosed |
| WO-2013103574-A1 | 2,5-FURAN DICARBOXYLIC ACID-BASED POLYESTERS PREPARED FROM BIOMASS | PEPSICO, INC. (US) | 2013-07-11 | — | — | WO | disclosed |