Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 6/20 | 0.41 |
| ▸ | SELL | P14151 | 1/20 | 0.41 |
| ▸ | SELP | P16109 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 2/20 | 0.38 |
| ▸ | TLR1 | Q15399 | 2/20 | 0.38 |
| ▸ | TLR6 | Q9Y2C9 | 2/20 | 0.38 |
| ▸ | MYC | P01106 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12760674 | 0.84 | ALDH1A1 (0.46) | ALDH1A1POLBL3MBTL1TDP1HPGD | |
| SCHEMBL12760783 | 0.82 | SELL (0.56) | ALDH1A1TDP1HPGDKDM4EHSD17B10 | |
| SCHEMBL16036190 | 0.80 | ALDH1A1 (0.48) | ALDH1A1POLBERN1SMN1; SMN2TLR2 | |
| SCHEMBL20594317 | 0.79 | GABRP (0.46) | ALDH1A1POLBL3MBTL1TDP1HPGD | |
| SCHEMBL27700457 | 0.78 | SELL (0.42) | ALDH1A1TDP1HPGDKDM4EHSD17B10 | |
| SCHEMBL19602472 | 0.78 | CA12 (0.49) | ALDH1A1HSD17B10ERN1SMN1; SMN2 | |
| SCHEMBL8384594 | 0.77 | POLB (0.41) | ALDH1A1POLBL3MBTL1TDP1HPGD | |
| SCHEMBL1821773 | 0.77 | SELL (0.37) | ALDH1A1POLBL3MBTL1TDP1HPGD | |
| SCHEMBL31309967 | 0.77 | CA1 (0.46) | ALDH1A1POLBL3MBTL1TDP1HPGD | |
| SCHEMBL30342994 | 0.76 | GABRP (0.42) | ALDH1A1POLBL3MBTL1TDP1HPGD |
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-2970106-B1 | BORON-CONTAINING DIACYLHYDRAZINES | INTREXON CORP (US) | 2018-05-16 | — | — | EP | disclosed |
| EP-2711368-B1 | Benzoxazepin PI3K inhibitor compounds and methods of use | HOFFMANN LA ROCHE (CH) | 2016-03-23 | — | — | EP | disclosed |