Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 2/20 | 0.40 |
| ▸ | NNMT | P40261 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20196574 | 0.85 | HCAR3 (0.42) | HCAR3NNMTMAOANPC1RAB9A | |
| SCHEMBL4248528 | 0.75 | HCAR3 (0.46) | HCAR3NNMTNPC1RAB9ALMNA | |
| SCHEMBL25813010 | 0.71 | CA12 (0.42) | CA12CA1CA2CA7CA13 | |
| SCHEMBL13397872 | 0.71 | CA12 (0.61) | CA12CA1CA2CA7CA13 | |
| SCHEMBL17168927 | 0.70 | AR (0.45) | CA12CA1CA2CA7CA13 | |
| SCHEMBL20381749 | 0.70 | CA12 (0.45) | CA12CA1CA2CA7CA13 | |
| SCHEMBL14283230 | 0.69 | NPC1 (0.47) | HCAR3NNMTCA12CA1CA2 | |
| SCHEMBL9954024 | 0.69 | SMN1; SMN2 (0.41) | HCAR3NNMTNPC1RAB9AMAPK1 | |
| SCHEMBL11377328 | 0.69 | MAPK1 (0.53) | CA12CA1CA2CA7CA13 | |
| SCHEMBL11265059 | 0.69 | KDM4E (0.51) | CA12CA1CA2CA7CA13 |
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-3418280-B1 | COMPOUNDS AS MODULATORS OF ROR GAMMA | BOEHRINGER INGELHEIM INT (DE) | 2023-07-12 | — | — | EP | disclosed |