Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | VEGFA | P15692 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19785987 | 0.87 | CTSB (0.46) | ALDH1A1MAPTLMNACTSBSMN1; SMN2 | |
| SCHEMBL21368991 | 0.85 | ALDH1A1 (0.43) | ALDH1A1MAPTLMNACTSBMEN1 | |
| SCHEMBL29613566 | 0.85 | ALDH1A1 (0.43) | ALDH1A1MAPTLMNACTSBMEN1 | |
| SCHEMBL18658598 | 0.85 | VEGFA (0.48) | ALDH1A1MAPTLMNACTSBVEGFA | |
| SCHEMBL19785610 | 0.83 | VEGFA (0.42) | ALDH1A1MAPTVEGFAEGLN1MGLL | |
| SCHEMBL20150070 | 0.78 | ALDH1A1 (0.49) | ALDH1A1MAPTLMNACTSBVEGFA | |
| SCHEMBL20137410 | 0.76 | MGLL (0.50) | ALDH1A1MAPTLMNAMGLLCYP2D6 | |
| SCHEMBL26603989 | 0.75 | ALDH1A1 (0.49) | ALDH1A1MAPTLMNACTSBVEGFA | |
| SCHEMBL21368990 | 0.74 | ALDH1A1 (0.42) | ALDH1A1MAPTLMNACTSBKDM4E | |
| SCHEMBL29613556 | 0.74 | ALDH1A1 (0.42) | ALDH1A1MAPTLMNACTSBKDM4E |
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 |