Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | TLR2 | O60603 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.32 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5019544 | 0.89 | ALDH1A1 (0.42) | ALDH1A1HPGDHTTSMN1; SMN2KMT2A | |
| SCHEMBL5019553 | 0.88 | ALDH1A1 (0.43) | ALDH1A1HPGDHTTSMN1; SMN2KMT2A | |
| SCHEMBL3445836 | 0.86 | ALDH1A1 (0.42) | ALDH1A1HPGDHTTSMN1; SMN2KMT2A | |
| SCHEMBL1498588 | 0.86 | ALDH1A1 (0.42) | ALDH1A1HPGDHTTSMN1; SMN2KMT2A | |
| SCHEMBL15077378 | 0.86 | ALDH1A1 (0.44) | ALDH1A1HPGDHTTSMN1; SMN2KMT2A | |
| SCHEMBL3446045 | 0.83 | ALDH1A1 (0.39) | ALDH1A1HPGDHTTSMN1; SMN2KMT2A | |
| SCHEMBL13073613 | 0.83 | ALDH1A1 (0.39) | ALDH1A1HPGDHTTSMN1; SMN2KMT2A | |
| SCHEMBL3445997 | 0.83 | ALDH1A1 (0.39) | ALDH1A1HPGDHTTSMN1; SMN2KMT2A | |
| SCHEMBL3445760 | 0.83 | ALDH1A1 (0.40) | ALDH1A1HPGDHTTSMN1; SMN2KMT2A | |
| SCHEMBL15074985 | 0.82 | ALDH1A1 (0.41) | ALDH1A1HPGDHTTSMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012033858-A2 | BORON-CONTAINING SMALL MOLECULES | ANACOR PHARMACEUTICALS, INC. (US) | 2012-03-15 | — | — | WO | disclosed |