Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 5/20 | 0.52 |
| ▸ | MITF | O75030 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7401760 | 0.89 | MITF (0.47) | LTA4HMITFALDH1A1POLBMAPK1 | |
| SCHEMBL7407960 | 0.86 | LTA4H (0.56) | LTA4HMITFALDH1A1POLBMAPK1 | |
| SCHEMBL11642407 | 0.84 | MITF (0.57) | MITFALDH1A1POLBMAPK1HTT | |
| SCHEMBL11645986 | 0.80 | ALDH1A1 (0.55) | MEN1KMT2AMITFALDH1A1POLB | |
| SCHEMBL11645434 | 0.79 | XIAP (0.58) | MEN1KMT2ALTA4HMITFALDH1A1 | |
| SCHEMBL11642968 | 0.78 | MTNR1B (0.56) | KMT2AALDH1A1TSHR | |
| SCHEMBL7404353 | 0.78 | HDAC3 (0.55) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL11671917 | 0.77 | ALDH1A1 (0.55) | MEN1KMT2AMITFALDH1A1POLB | |
| SCHEMBL11645404 | 0.77 | MTNR1B (0.63) | MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL11748157 | 0.76 | MTNR1B (0.68) | MEN1KMT2AMITFALDH1A1POLB |
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-2002076968-A1 | MALONATES AS INHIBITORS OF THE ICE/CED-6 FAMILY OF CYSTEINE PROTEASES | NOVARTIS AG (CH) | 2002-10-03 | — | — | WO | disclosed |