Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15627563 | 1.00 | KMT2A (0.40) | KMT2AMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL29851977 | 1.00 | KMT2A (0.40) | KMT2AMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL22902022 | 0.87 | KDM1A (0.34) | KMT2A | |
| SCHEMBL15627561 | 0.83 | KDM4E (0.49) | KMT2AMAPTALDH1A1RAB9AHTT | |
| SCHEMBL15621153 | 0.82 | KMT2A (0.41) | KMT2AMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL15619448 | 0.82 | ALDH1A1 (0.39) | KMT2AMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL15627559 | 0.81 | KMT2A (0.38) | KMT2AMAPTALDH1A1HTTKDM4E | |
| SCHEMBL15620101 | 0.81 | MAPT (0.40) | KMT2AMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL16931694 | 0.81 | KMT2A (0.40) | KMT2AMAPTALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL29852012 | 0.79 | MAPT (0.43) | KMT2AMAPTALDH1A1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2897607-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2017-11-22 | — | — | EP | disclosed |