Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | TSHR | P16473 | 5/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | PDE2A | O00408 | 1/20 | 0.46 |
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.46 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.46 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10966874 | 1.00 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL7115394 | 0.85 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL29955170 | 0.85 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| Hydrochloric Acid SCHEMBL7124230 | 0.84 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL28796478 | 0.81 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL6650087 | 0.81 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL29950854 | 0.78 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1CYP3A4HSD17B10 | |
| SCHEMBL29952844 | 0.78 | HSD17B10 (0.60) | ALDH1A1TSHRTDP1CYP3A4NFKB1 | |
| SCHEMBL13135638 | 0.77 | MAPT (0.54) | ALDH1A1TSHRTDP1CYP3A4APEX1 | |
| SCHEMBL29954832 | 0.77 | TDP1 (0.58) | ALDH1A1TDP1CYP3A4MAPTLMNA |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |