Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.64 |
| ▸ | MEN1 | O00255 | 5/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | USP10 | Q14694 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| 4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 | 0.92 | KCNJ1 (0.68) | KMT2AMEN1KCNJ1KCNH2ATM | |
| SCHEMBL16695952 | 0.91 | KCNJ1 (0.61) | KMT2AMEN1SMN1; SMN2KCNJ1KCNH2 | |
| 4-Nitrobenzoic Acid Ethyl Ester SCHEMBL27941051 | 0.91 | KCNJ1 (0.67) | KMT2AMEN1KCNJ1KCNH2ATM | |
| 4-Nitrobenzoic Acid Ethyl Ester SCHEMBL21246856 | 0.91 | KCNJ1 (0.67) | KMT2AMEN1KCNJ1KCNH2ATM | |
| 4-Nitrobenzoic Acid Ethyl Ester SCHEMBL28242787 | 0.91 | KCNJ1 (0.67) | KMT2AMEN1KCNJ1KCNH2ATM | |
| SCHEMBL18347829 | 0.88 | KCNJ1 (0.58) | KMT2AMEN1SMN1; SMN2KCNJ1KCNH2 | |
| SCHEMBL28362521 | 0.88 | KCNJ1 (0.64) | KMT2AMEN1KCNJ1KCNH2ATM | |
| 4-Nitrobenzoic Acid Ethyl Ester SCHEMBL21644730 | 0.88 | KCNJ1 (0.64) | KMT2AMEN1SMN1; SMN2KCNJ1KCNH2 | |
| SCHEMBL13949537 | 0.86 | MAPT (0.53) | KMT2AMEN1SMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL177854 | 0.86 | KDM4E (0.67) | KMT2AMEN1SMN1; SMN2MAPTNPC1 |
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-2015051149-A1 | SORAFENIB ANALOGS AND USES THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2015-04-09 | — | — | WO | disclosed |