Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.39 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7100498 | 0.84 | MMP8 (0.49) | ALDH1A1TSHRKMT2ALMNACYP2D6 | |
| SCHEMBL7099669 | 0.82 | KMT2A (0.47) | ALDH1A1TSHRHPGDKMT2ACA12 | |
| SCHEMBL7101663 | 0.82 | LMNA (0.46) | ALDH1A1HPGDKMT2ARAB9ALMNA | |
| SCHEMBL7100973 | 0.81 | TSHR (0.51) | ALDH1A1TSHRKMT2ARAB9ALMNA | |
| SCHEMBL7101016 | 0.79 | NPC1 (0.48) | ALDH1A1TSHRHPGDKMT2ARAB9A | |
| SCHEMBL7100984 | 0.77 | ALDH1A1 (0.47) | ALDH1A1TSHRHPGDKMT2ARAB9A | |
| SCHEMBL7097261 | 0.75 | TSHR (0.41) | ALDH1A1TSHRHPGDSMN1; SMN2NPSR1 | |
| SCHEMBL4977454 | 0.74 | KMT2A (0.53) | ALDH1A1TSHRHPGDKMT2ARAB9A | |
| SCHEMBL236201 | 0.74 | ALDH1A1 (0.56) | ALDH1A1TSHRHPGDKMT2ARAB9A | |
| SCHEMBL24665788 | 0.73 | ALDH1A1 (0.56) | ALDH1A1TSHRHPGDKMT2ARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1038861-B1 | 4-FLUORO-3-OXOCARBOXYLIC ESTERS AND PROCESS FOR PRODUCING THE SAME | UBE INDUSTRIES (JP) | 2003-09-03 | — | — | EP | disclosed |
| US-6593488-B1 | Reacting 2-fluorocarboxylate with carboxylate | UBE INDUSTRIES, LTD. (JP) | 2003-07-15 | — | — | US | disclosed |
| EP-1038861-A1 | 4-FLUORO-3-OXOCARBOXYLIC ESTERS AND PROCESS FOR PRODUCING THE SAME | UBE INDUSTRIES LIMITED (JP) | 2000-09-27 | — | — | EP | disclosed |