Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | ALPG | P10696 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3701394 | 0.89 | SRD5A2 (0.50) | CES2CES1SRD5A2ALDH1A1LMNA | |
| SCHEMBL9776307 | 0.83 | SRD5A2 (0.68) | CES2CES1SRD5A2NPC1RAB9A | |
| SCHEMBL1736339 | 0.82 | LTA4H (0.73) | LTA4HCES2CES1SRD5A2NPC1 | |
| SCHEMBL8572071 | 0.82 | LTA4H (0.73) | LTA4HCES2CES1SRD5A2NPC1 | |
| SCHEMBL3158793 | 0.82 | TSHR (0.50) | CES2CES1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL238259 | 0.82 | LTA4H (0.73) | LTA4HCES2CES1SRD5A2NPC1 | |
| SCHEMBL10033819 | 0.82 | LTA4H (0.52) | LTA4HCES2CES1SRD5A2NPC1 | |
| SCHEMBL7929201 | 0.81 | LMNA (0.65) | SRD5A2RAB9ALMNASMN1; SMN2MAPT | |
| SCHEMBL2980698 | 0.81 | ALDH1A1 (0.61) | CES2CES1SRD5A2NPC1RAB9A | |
| SCHEMBL7937285 | 0.81 | SRD5A2 (0.70) | LTA4HCES2CES1SRD5A2VNN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6242654-B1 | REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |