Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19620603 | 0.82 | POLB (0.50) | KMT2AMAPTKDM4ENPC1RAB9A | |
| SCHEMBL19620533 | 0.82 | MAPT (0.42) | MAPTKDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL19620561 | 0.81 | SMN1; SMN2 (0.34) | MAPTKDM4EALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL19620559 | 0.81 | ALDH1A1 (0.41) | KMT2AMAPTKDM4EMEN1NPC1 | |
| SCHEMBL19620650 | 0.80 | CYP19A1 (0.42) | MAPTKDM4EMDM2NPC1RAB9A | |
| SCHEMBL19620504 | 0.79 | TP53 (0.43) | KMT2AMAPTKDM4EMEN1NPC1 | |
| SCHEMBL15627563 | 0.78 | KMT2A (0.40) | KMT2AMAPTKDM4EMEN1MDM2 | |
| SCHEMBL19620557 | 0.78 | KMT2A (0.40) | KMT2AMAPTKDM4EMEN1MDM2 | |
| SCHEMBL29851977 | 0.78 | KMT2A (0.40) | KMT2AMAPTKDM4EMEN1MDM2 | |
| SCHEMBL19620675 | 0.77 | MAPT (0.42) | KMT2AMAPTKDM4EMEN1NPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3345596-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2021-01-20 | — | — | EP | disclosed |
| EP-2897607-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2017-11-22 | — | — | EP | disclosed |