Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13330330 | 0.87 | GPR52 (0.49) | ALDH1A1GPR52NPC1RAB9ATDP1 | |
| SCHEMBL28295323 | 0.82 | ALDH1A1 (0.54) | ALDH1A1RAB9ATDP1KMT2AMEN1 | |
| SCHEMBL12922767 | 0.81 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9ATDP1KMT2A | |
| SCHEMBL529429 | 0.81 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9ATDP1KMT2A | |
| SCHEMBL29557745 | 0.81 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9ATDP1KMT2A | |
| SCHEMBL2704242 | 0.79 | ALDH1A1 (0.53) | ALDH1A1GPR52NPC1RAB9ATDP1 | |
| SCHEMBL17073952 | 0.79 | KMT2A (0.59) | ALDH1A1NPC1RAB9ATDP1KMT2A | |
| SCHEMBL29372705 | 0.79 | KMT2A (0.59) | ALDH1A1NPC1RAB9ATDP1KMT2A | |
| SCHEMBL4317881 | 0.77 | ALDH1A1 (0.63) | ALDH1A1NPC1RAB9ATDP1KMT2A | |
| SCHEMBL873995 | 0.77 | ALDH1A1 (0.63) | ALDH1A1NPC1RAB9ATDP1KMT2A |
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-2010047774-A2 | INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE, METHODS OF MARKING AND USES THEREOF | THE TEXAS A & M UNIVERSITY SYSTEM (US) | 2010-04-29 | — | — | WO | disclosed |