Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | PRKCA | P17252 | 3/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13625424 | 0.84 | TDP1 (0.46) | TDP1TSHRPRKCAARGAA | |
| Triacetin SCHEMBL890839 | 0.84 | PRKCA (0.46) | TDP1TSHRPRKCAARGAA | |
| Triacetin SCHEMBL821340 | 0.83 | TDP1 (0.56) | TDP1TSHRPRKCAARGAA | |
| Triacetin SCHEMBL3870 | 0.83 | TDP1 (0.56) | TDP1TSHRPRKCAARGAA | |
| Propylene Glycol SCHEMBL20138436 | 0.82 | PRKCA (0.53) | TDP1PRKCA | |
| Triacetin SCHEMBL16446056 | 0.81 | TDP1 (0.54) | TDP1TSHRPRKCAARGAA | |
| Triacetin SCHEMBL8012678 | 0.81 | TDP1 (0.54) | TDP1TSHRPRKCAARGAA | |
| Triacetin SCHEMBL4367394 | 0.81 | TDP1 (0.54) | TDP1TSHRPRKCAARGAA | |
| Triacetin SCHEMBL31301065 | 0.81 | TDP1 (0.54) | TDP1TSHRPRKCAARGAA | |
| Triacetin SCHEMBL16445622 | 0.81 | TDP1 (0.54) | TDP1TSHRPRKCAARGAA |
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-6573378-B1 | 9-(4-hydroxy-3-hydroxymethylbut-1-yl)guanine having a purity of greater than 95% by weight or it's sodium salt | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2003-06-03 | — | — | US | disclosed |