Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2574265 | 0.90 | HCAR3 (0.38) | ALDH1A1MEN1KMT2AMAPTPOLB | |
| SCHEMBL2589366 | 0.86 | SMN1; SMN2 (0.38) | CRBNSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL2576665 | 0.86 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL2529286 | 0.85 | ALDH1A1 (0.41) | CRBNSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL2575481 | 0.83 | CRBN (0.45) | CRBNSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL2531931 | 0.82 | ALDH1A1 (0.42) | CRBNSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL2572744 | 0.81 | ITGB3 (0.40) | SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL2535710 | 0.80 | PTPN1 (0.49) | SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL2531914 | 0.80 | POLB (0.44) | SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL2527699 | 0.80 | MAPT (0.42) | SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2558449-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011128251-A1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |