Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9684160 | 0.74 | AKR1B1 (0.42) | KDM4EMAPTHPGDFFAR1SMN1; SMN2 | |
| SCHEMBL11358992 | 0.70 | HSD17B10 (0.47) | PTGDR2PTGDR | |
| SCHEMBL21027101 | 0.69 | MAPT (0.37) | KDM4EMEN1KMT2APTGDR2ALDH1A1 | |
| SCHEMBL30633075 | 0.69 | HTR2B (0.40) | ALDH1A1LMNAHPGDKCNH2NPC1 | |
| SCHEMBL28907669 | 0.69 | CYP1A2 (0.46) | MEN1KMT2AHTTMAPTLMNA | |
| SCHEMBL8993321 | 0.69 | HTR2B (0.40) | ALDH1A1LMNAHPGDKCNH2NPC1 | |
| SCHEMBL9449382 | 0.69 | TRPM5 (0.37) | KDM4EMEN1KMT2APTGDR2ALDH1A1 | |
| SCHEMBL2944071 | 0.69 | PTGDR2 (0.40) | KDM4EMEN1KMT2APTGDR2ALDH1A1 | |
| SCHEMBL11202111 | 0.69 | KMT2A (0.42) | KMT2AALDH1A1SRCMAPTLMNA | |
| SCHEMBL9449431 | 0.69 | EGFR (0.45) | KDM4EMEN1KMT2APTGDR2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3549930-B1 | NOVEL ESTER COMPOUND AND PIN1 INHIBITOR, INFLAMMATORY DISEASE THERAPEUTIC, AND COLON CANCER THERAPEUTIC IN WHICH SAID ESTER COMPOUND IS USED | UNIV HIROSHIMA (JP) | 2023-07-19 | — | — | EP | disclosed |