Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | RGS12 | O14924 | 1/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 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 | |
|---|---|---|---|---|
| SCHEMBL10762081 | 0.87 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP1A2HTTHIF1A | |
| SCHEMBL11042477 | 0.85 | ALDH1A1 (0.49) | ALDH1A1TSHRCYP1A2HTTHIF1A | |
| SCHEMBL6761557 | 0.85 | TSHR (0.49) | ALDH1A1TSHRCYP1A2HTTHIF1A | |
| SCHEMBL6758856 | 0.83 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP1A2HTTHIF1A | |
| SCHEMBL8669218 | 0.80 | ALDH1A1 (0.45) | ALDH1A1TSHRHTTKIF11GAA | |
| SCHEMBL28019899 | 0.80 | ALDH1A1 (0.45) | ALDH1A1TSHRHTTKIF11GAA | |
| SCHEMBL8586852 | 0.80 | ALDH1A1 (0.45) | ALDH1A1TSHRCYP1A2HTTHIF1A | |
| SCHEMBL8586857 | 0.80 | ALDH1A1 (0.45) | ALDH1A1TSHRCYP1A2HTTHIF1A | |
| Ethylenediamine SCHEMBL1472377 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP1A2HTTHIF1A | |
| SCHEMBL6761465 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP1A2HTTHIF1A |
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-20040072212-A1 | Recognition-driven alkylation of biopolymers | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2004-04-15 | — | — | US | disclosed |