Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | FOLH1 | Q04609 | 4/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22112574 | 0.91 | HDAC1 (0.39) | HDAC1HDAC6MEN1KMT2AALDH1A1 | |
| SCHEMBL20200110 | 0.85 | CACNA2D1 (0.36) | HDAC1HDAC6MEN1KMT2AALDH1A1 | |
| SCHEMBL22069305 | 0.84 | HDAC1 (0.42) | HDAC1HDAC6MEN1KMT2AALDH1A1 | |
| SCHEMBL20199792 | 0.82 | — | — | |
| SCHEMBL20199838 | 0.80 | HSD17B10 (0.33) | ALDH1A1 | |
| SCHEMBL20200026 | 0.79 | — | — | |
| SCHEMBL22069430 | 0.79 | MEN1 (0.40) | HDAC1HDAC6MEN1KMT2AALDH1A1 | |
| SCHEMBL20199802 | 0.78 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL23656474 | 0.78 | MEN1 (0.39) | HDAC1HDAC6MEN1KMT2AALDH1A1 | |
| SCHEMBL20187486 | 0.75 | ALDH1A1 (0.49) | MEN1KMT2AALDH1A1POLBLMNA |
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-2018096082-A1 | HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-31 | — | — | WO | disclosed |