Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | PTPRC | P08575 | 3/20 | 0.47 |
| ▸ | S100A4 | P26447 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | TDP2 | O95551 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1429100 | 0.77 | MEN1 (0.51) | ALDH1A1PTPRCS100A4MEN1KMT2A | |
| SCHEMBL2062631 | 0.74 | MEN1 (0.55) | ALDH1A1PTPRCS100A4MEN1KMT2A | |
| SCHEMBL7218336 | 0.73 | ALDH1A1 (0.46) | ALDH1A1PTPRCS100A4MEN1KMT2A | |
| SCHEMBL2488458 | 0.72 | KMT2A (0.53) | ALDH1A1PTPRCS100A4MEN1KMT2A | |
| Formaldehyde SCHEMBL28235065 | 0.72 | MEN1 (0.53) | ALDH1A1PTPRCS100A4MEN1KMT2A | |
| SCHEMBL9818795 | 0.72 | MAPT (0.61) | ALDH1A1PTPRCS100A4MEN1KMT2A | |
| SCHEMBL10963390 | 0.72 | MEN1 (0.47) | ALDH1A1PTPRCS100A4MEN1KMT2A | |
| SCHEMBL4228822 | 0.72 | MEN1 (0.50) | ALDH1A1PTPRCS100A4MEN1KMT2A | |
| SCHEMBL9818948 | 0.71 | PBRM1 (0.60) | ALDH1A1PTPRCS100A4MEN1KMT2A | |
| SCHEMBL8893107 | 0.69 | PTPRC (0.49) | ALDH1A1PTPRCS100A4MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6756403-B2 | 6-AMINOCHROMAN-2-YL CARBOXYLIC ACIDS AND ESTERS AS PLATELET AGGREGATION INHIBITORS; FROM PHENOL AND KETOGLUTARIC ACID; OR FROM 2-HYDROXYACETOPHENONE AND DIETHYLOXALATE; OR FROM NITROPHENOL AND DIETHYL ESTER OF MALEIC ACID | ELI LILLY AND COMPANY | 2004-06-29 | — | — | US | disclosed |