Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 2/20 | 0.53 |
| ▸ | QPCT | Q16769 | 4/20 | 0.53 |
| ▸ | QPCTL | Q9NXS2 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TNF | P01375 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24041741 | 0.86 | PKM (0.50) | METQPCTQPCTLHTTHDAC1 | |
| SCHEMBL19911426 | 0.85 | CYP11B1 (0.66) | QPCTQPCTLCYP11B1CYP11B2HTT | |
| Hydrochloric Acid SCHEMBL29006843 | 0.85 | PKM (0.49) | METQPCTQPCTLHTTHDAC1 | |
| Hydrochloric Acid SCHEMBL30457744 | 0.85 | PKM (0.49) | METQPCTQPCTLHTTHDAC1 | |
| SCHEMBL13187035 | 0.81 | CYP11B1 (0.63) | METKCNH2CYP11B1CYP11B2HTT | |
| SCHEMBL14376779 | 0.80 | HDAC6 (0.70) | QPCTQPCTLHDAC3HDAC4HDAC1 | |
| SCHEMBL7672864 | 0.78 | CYP11B1 (0.75) | METCYP11B1CYP11B2HTTSMN1; SMN2 | |
| SCHEMBL19911431 | 0.78 | PRPS1 (0.44) | QPCTQPCTLKCNH2CYP11B1CYP11B2 | |
| SCHEMBL24041847 | 0.78 | PKM (0.43) | HTTSMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL30457528 | 0.77 | PKM (0.42) | HTTSMN1; SMN2LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021233994-A1 | SOCE INHIBITORS AND THERAPEUTIC USES THEREOF | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2021-11-25 | — | — | WO | disclosed |
| EP-3912972-A1 | SOCE INHIBITORS AND THERAPEUTIC USES THEREOF | Centre Hospitalier Régional et Universitaire de Brest (FR) | 2021-11-24 | — | — | EP | disclosed |