Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TYMP | P19971 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12390738 | 0.83 | TYMP (0.34) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL12390736 | 0.83 | KMT2A (0.40) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL14238168 | 0.81 | LMNA (0.43) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL21235507 | 0.79 | KMT2A (0.40) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL12207806 | 0.79 | KMT2A (0.40) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL18916054 | 0.78 | KMT2A (0.36) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL27346208 | 0.77 | CYP2C19 (0.39) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL12390737 | 0.75 | TYMP (0.33) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL21754476 | 0.74 | KMT2A (0.37) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL18916053 | 0.74 | KMT2A (0.38) | KMT2ACA12CA1CA2CA9 |
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-2012166778-A2 | CONJUGATES OF NITROIMIDAZOLES AND THEIR USE AS CHEMOTHERAPEUTIC AGENTS | THE JOHNS HOPKINS UNIVERSITY (US) | 2012-12-06 | — | — | WO | disclosed |