Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | NCF1 | P14598 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL20367966 | 0.81 | TOP2A (0.35) | MAPTALDH1A1MEN1NPC1RAB9A | |
| SCHEMBL19620621 | 0.80 | MAPT (0.49) | MAPTALDH1A1TP53CYP3A4MAPK1 | |
| SCHEMBL19620559 | 0.79 | ALDH1A1 (0.41) | MAPTALDH1A1MEN1NPC1TP53 | |
| SCHEMBL15620101 | 0.78 | MAPT (0.40) | MAPTALDH1A1MEN1NPC1TP53 | |
| SCHEMBL19620635 | 0.77 | TP53 (0.43) | MAPTALDH1A1MEN1NPC1TP53 | |
| SCHEMBL19620531 | 0.76 | MAPT (0.39) | MAPTALDH1A1TP53CYP3A4MAPK1 | |
| SCHEMBL15627599 | 0.75 | KDM4E (0.41) | MAPTMEN1RAB9AKMT2AKDM4E | |
| SCHEMBL20367974 | 0.75 | MAPT (0.41) | MAPTALDH1A1MEN1MAPK1RAB9A | |
| SCHEMBL19620539 | 0.75 | CYP1A2 (0.33) | MAPTALDH1A1CYP3A4KDM4EPOLB | |
| SCHEMBL19620732 | 0.75 | MEN1 (0.33) | MAPTALDH1A1MEN1KMT2AKDM4E |
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 |