Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27641319 | 0.79 | CYP4F2 (0.53) | ALDH1A1HPGDHSD17B10CYP2C9CYP2C19 | |
| SCHEMBL9734555 | 0.77 | ESR1 (0.53) | MAPTGAAKMT2AMEN1TSHR | |
| SCHEMBL9733860 | 0.77 | ALDH1A1 (0.37) | ALDH1A1MAPTGAAKMT2AMEN1 | |
| SCHEMBL10911841 | 0.77 | L3MBTL1 (0.36) | ALDH1A1HPGDHSD17B10GAAMAPK1 | |
| SCHEMBL9780185 | 0.76 | HTT (0.38) | ALDH1A1HPGDMAPTGAAKMT2A | |
| SCHEMBL9733733 | 0.76 | HTT (0.57) | ALDH1A1KDM4ENPC1SMN1; SMN2LMNA | |
| SCHEMBL9780186 | 0.74 | SLC6A4 (0.46) | ALDH1A1HSD17B10MAPTKDM4ETSHR | |
| SCHEMBL11443491 | 0.69 | ALDH1A1 (0.50) | ALDH1A1HPGDHSD17B10CYP2C9CYP2C19 | |
| SCHEMBL9780324 | 0.69 | ALDH1A1 (0.40) | ALDH1A1HPGDHSD17B10CYP2C9CYP2C19 | |
| SCHEMBL5646360 | 0.66 | LOXL2 (0.58) | ALDH1A1HPGDHSD17B10CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4990526-A | Skin disorders, antiallergens, antiinflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1991-02-05 | — | — | US | disclosed |