Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.45 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21395082 | 0.92 | NPC1 (0.43) | NPC1RAB9AGRM4SORT1GRM5 | |
| SCHEMBL29357133 | 0.86 | ALDH1A1 (0.48) | NPC1RAB9AMAPK1GRM4SORT1 | |
| SCHEMBL21394613 | 0.86 | ALDH1A1 (0.48) | NPC1RAB9AMAPK1GRM4SORT1 | |
| SCHEMBL21395200 | 0.86 | GRM4 (0.43) | NPC1RAB9AGRM4GRM5 | |
| SCHEMBL29353664 | 0.86 | GRM4 (0.43) | NPC1RAB9AGRM4GRM5 | |
| SCHEMBL21394918 | 0.86 | GRM5 (0.43) | NPC1RAB9ASORT1GRM5SMN1; SMN2 | |
| SCHEMBL29358065 | 0.85 | NR3C2 (0.47) | NPC1RAB9AGRM5SMN1; SMN2ALDH1A1 | |
| SCHEMBL21394865 | 0.85 | NR3C2 (0.47) | NPC1RAB9AGRM5SMN1; SMN2ALDH1A1 | |
| SCHEMBL21394758 | 0.83 | NPC1 (0.53) | NPC1RAB9AMAPK1HDAC3HDAC1 | |
| SCHEMBL29357852 | 0.83 | NPC1 (0.53) | NPC1RAB9AMAPK1HDAC3HDAC1 |
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-2020198026-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS, INC. (US) | 2020-10-01 | — | — | WO | disclosed |