Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | COMT | P21964 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7264952 | 0.77 | MEN1 (0.48) | ALDH1A1KDM4ECYP2D6COMTSMN1; SMN2 | |
| SCHEMBL10080862 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTCYP1A2POLB | |
| SCHEMBL4137157 | 0.71 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTCYP1A2POLB | |
| SCHEMBL8363890 | 0.70 | ALDH1A1 (0.51) | ALDH1A1KDM4EMAPTCYP1A2POLB | |
| SCHEMBL28795859 | 0.70 | PIM1 (0.47) | ALDH1A1KDM4EMAPTCYP1A2POLB | |
| SCHEMBL5195011 | 0.69 | ALDH1A1 (0.58) | ALDH1A1KDM4EMAPTCYP1A2POLB | |
| SCHEMBL11801718 | 0.69 | ALDH1A1 (1.00) | ALDH1A1KDM4EMAPTCYP1A2POLB | |
| SCHEMBL13952380 | 0.68 | P2RX7 (0.44) | ALDH1A1KDM4EMAPTCYP1A2POLB | |
| SCHEMBL5758695 | 0.68 | L3MBTL1 (0.59) | ALDH1A1KDM4EMAPTCYP1A2POLB | |
| SCHEMBL5537404 | 0.68 | ALDH1A1 (0.56) | ALDH1A1KDM4EMAPTCYP1A2POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003099801-A1 | NOVEL ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2003-12-04 | — | — | WO | claimed |