Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL15197869 | 0.76 | MEN1 (0.49) | HTTTP53ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL16735595 | 0.76 | MET (0.54) | HTTTP53ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL30539577 | 0.75 | SYK (0.41) | TP53ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL6061273 | 0.75 | SYK (0.41) | TP53ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2462559 | 0.69 | ALDH1A1 (0.58) | HTTTP53ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL29972879 | 0.69 | KMT2A (0.71) | TP53ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL1446261 | 0.69 | KMT2A (0.71) | TP53ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL17440399 | 0.69 | DAO (0.56) | HTTTP53ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL16735626 | 0.68 | PDK1 (0.46) | TP53SMN1; SMN2NPC1RAB9ACYP3A4 | |
| SCHEMBL30910934 | 0.67 | ATAD2 (0.50) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2552915-B1 | COMPOUNDS FOR THE TREATMENT OF HIV | CRITICAL OUTCOME TECH INC (CA) | 2017-07-19 | — | — | EP | disclosed |