Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | FFAR4 | Q5NUL3 | 4/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 6/20 | 0.47 |
| ▸ | PTGES | O14684 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5593618 | 0.84 | CYP1A2 (0.49) | CYP1A2FFAR4FFAR1PTGESALOX5 | |
| SCHEMBL9670503 | 0.84 | CYP1A2 (0.67) | CYP1A2FFAR4FFAR1LMNAKDM4E | |
| SCHEMBL5593638 | 0.83 | KDM4E (0.49) | CYP1A2LMNAKDM4ENPC1TP53 | |
| SCHEMBL472281 | 0.83 | FFAR1 (0.59) | FFAR4FFAR1LMNANPC1TP53 | |
| SCHEMBL29954798 | 0.80 | ALDH1A1 (0.58) | FFAR4FFAR1L3MBTL1KEAP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10411183 | 0.79 | ALDH1A1 (0.57) | FFAR4FFAR1L3MBTL1KEAP1ALDH1A1 | |
| SCHEMBL10312503 | 0.78 | FFAR1 (0.57) | CYP1A2FFAR4FFAR1ALDH1A1 | |
| SCHEMBL15131776 | 0.78 | SIGMAR1 (0.47) | CYP1A2CYP3A4ALDH1A1ALOX15 | |
| SCHEMBL30403190 | 0.78 | CYP1A2 (0.80) | CYP1A2FFAR4FFAR1KEAP1 | |
| SCHEMBL1217683 | 0.78 | CYP1A2 (0.80) | CYP1A2FFAR4FFAR1KEAP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007022263-A1 | FLUOROGENIC PROBES FOR MEDIUM CHAIN ACYL-COA DEHYDROGENASE ( MCAD ) | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2007-02-22 | — | — | WO | disclosed |
| WO-2007022263-A1 | FLUOROGENIC PROBES FOR MEDIUM CHAIN ACYL-COA DEHYDROGENASE ( MCAD ) | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2007-02-22 | — | — | WO | disclosed |