Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.44 |
| ▸ | NPC1 | O15118 | 8/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.44 |
| ▸ | TP53 | P04637 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL25400113 | 1.00 | RAB9A (0.44) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL26260734 | 0.91 | NPC1 (0.40) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL30041546 | 0.88 | RAB9A (0.41) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL26260731 | 0.88 | RAB9A (0.41) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL26260736 | 0.88 | SMN1; SMN2 (0.45) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL30041208 | 0.88 | SMN1; SMN2 (0.45) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL26262050 | 0.84 | RAB9A (0.47) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL21612019 | 0.83 | RAB9A (0.49) | RAB9ANPC1SMN1; SMN2TP53TSHR | |
| SCHEMBL25402812 | 0.82 | CYP1A2 (0.42) | TSHRPDE10AHDAC1HDAC6CYP1A2 | |
| SCHEMBL30040328 | 0.82 | CYP1A2 (0.42) | TSHRPDE10AHDAC1HDAC6CYP1A2 |
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-4085054-A1 | NEW PQSR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2022-11-09 | — | — | EP | disclosed |