Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 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 | |
|---|---|---|---|---|
| SCHEMBL5004232 | 0.81 | PDK2 (0.43) | CYP3A4CYP1A2ALDH1A1TP53NFKB1 | |
| SCHEMBL18351748 | 0.77 | KMT2A (0.35) | LMNABRD4MEN1KMT2AALK | |
| SCHEMBL163723 | 0.75 | GSK3B (0.35) | SMN1; SMN2LMNABRD4MEN1KMT2A | |
| SCHEMBL16465056 | 0.74 | PDK2 (0.39) | TP53SMN1; SMN2LMNAALK | |
| SCHEMBL10227297 | 0.73 | PDK2 (0.36) | CA1CA2CA7CA9ALK | |
| SCHEMBL23572603 | 0.73 | PPM1A (0.37) | ALDH1A1MEN1KMT2ACDK4CCND1 | |
| SCHEMBL30104206 | 0.73 | PPM1A (0.37) | ALDH1A1MEN1KMT2ACDK4CCND1 | |
| SCHEMBL1009767 | 0.73 | CDK4 (0.36) | ALDH1A1MEN1KMT2ACDK4CCND1 | |
| SCHEMBL9898823 | 0.73 | CDK4 (0.36) | ALDH1A1MEN1KMT2ACDK4CCND1 | |
| SCHEMBL204806 | 0.73 | PDK2 (0.44) | CYP2A6CA1CA2CA7CA9 |
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-2014056886-A1 | ELECTROCHEMICAL AND OPTOELECTRONIC DEVICES AND DYE-SENSITIZERS COMPRISED THEREIN | SOLVAY SA (BE) | 2014-04-17 | — | — | WO | disclosed |