Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | PTGIR | P43119 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL11101135 | 0.74 | TBXAS1 (0.45) | HTT | |
| SCHEMBL20525128 | 0.71 | ALDH1A1 (0.38) | PTGIRNOTUMSMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL8893994 | 0.69 | PTPN1 (0.49) | ALDH1A1HTTLMNA | |
| SCHEMBL27836359 | 0.69 | MEN1 (0.42) | PTGIRSMN1; SMN2ALDH1A1 | |
| SCHEMBL2193925 | 0.69 | GAA (0.44) | CYP3A4PTGIRPOLBALDH1A1HTT | |
| SCHEMBL27837975 | 0.68 | ALDH1A1 (0.56) | NOTUMSMN1; SMN2ALDH1A1HTTKCNA5 | |
| SCHEMBL1572008 | 0.68 | AKR1B1 (0.43) | PTGIRPOLBALDH1A1HTT | |
| SCHEMBL26957589 | 0.67 | NOTUM (0.51) | NOTUMTRPV1SMN1; SMN2ALDH1A1HTT | |
| SCHEMBL5557436 | 0.66 | CYP3A4 (0.48) | CYP3A4HRH1NOTUMTRPV1 | |
| SCHEMBL23177721 | 0.65 | L3MBTL1 (0.50) | ALDH1A1HTTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101432129-A | Novel compounds that are useful for improving pharmacokinetics | ABBOTT LAB (US) | 2009-05-13 | — | — | CN | claimed |