Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16321499 | 0.77 | TDP1 (0.51) | HDAC6MAPTTP53HTT | |
| SCHEMBL29471237 | 0.73 | GAA (0.46) | HDAC6HDAC1MAPTGAAALDH1A1 | |
| SCHEMBL28825817 | 0.72 | QPCTL (0.38) | SLC22A12HDAC6HDAC1MAPTGAA | |
| SCHEMBL28825821 | 0.71 | NOTUM (0.44) | MAPTMEN1KMT2ANPC1LMNA | |
| SCHEMBL428976 | 0.71 | GAA (0.44) | MAPTGAAMEN1ALDH1A1KMT2A | |
| SCHEMBL28050610 | 0.70 | CDK5 (0.42) | SLC22A12MAPTMEN1KMT2ANPC1 | |
| SCHEMBL16495396 | 0.70 | ACHE (0.41) | MAPTSIRT2SIRT1TSHRTP53 | |
| SCHEMBL16495185 | 0.68 | CYP3A4 (0.39) | MEN1ALDH1A1KMT2ATSHR | |
| SCHEMBL447107 | 0.68 | ACHE (0.50) | MAPTMEN1KMT2AMMP1 | |
| SCHEMBL16321779 | 0.67 | CPT1A (0.54) | HDAC6MAPTTSHRTP53NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105308039-A | Indolin-2-one or pyrrolo-pyridin/pyrimidin-2-one derivatives | HOFFMANN LA ROCHE | 2016-02-03 | — | — | CN | disclosed |