Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MGLL | Q99685 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19785985 | 0.87 | ALDH1A1 (0.45) | CTSBALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL19785970 | 0.85 | CTSB (0.45) | CTSBALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL29613556 | 0.85 | ALDH1A1 (0.42) | CTSBALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL21368990 | 0.85 | ALDH1A1 (0.42) | CTSBALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL19785787 | 0.83 | MGLL (0.41) | ALDH1A1KDM4EMGLLPOLB | |
| SCHEMBL21354251 | 0.75 | ALDH1A1 (0.39) | ALDH1A1KDM4ETDP1LMNAMAPT | |
| SCHEMBL21368991 | 0.74 | ALDH1A1 (0.43) | CTSBALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL29613566 | 0.74 | ALDH1A1 (0.43) | CTSBALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL22383737 | 0.72 | MGLL (0.34) | ALDH1A1KDM4EMGLLPOLB | |
| SCHEMBL22383759 | 0.72 | SMN1; SMN2 (0.38) | ALDH1A1KDM4EMGLLKMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3484880-B1 | HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA | LEO PHARMA AS (DK) | 2020-09-02 | — | — | EP | disclosed |
| WO-2018011201-A1 | HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA | LEO PHARMA A/S (DK) | 2018-01-18 | — | — | WO | disclosed |