Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | NEU3 | Q9UQ49 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.34 |
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12434678 | 0.88 | ALDH1A1 (0.40) | ALDH1A1HDAC1HDAC6MAPTNPC1 | |
| SCHEMBL13973892 | 0.87 | ALDH1A1 (0.40) | ALDH1A1TP53HDAC1HDAC6MAPT | |
| SCHEMBL12892206 | 0.80 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9AKDM4EHSD17B10 | |
| SCHEMBL11386472 | 0.80 | PKM (0.41) | ALDH1A1MAPTKCNJ1NPC1RAB9A | |
| SCHEMBL6258779 | 0.78 | CSF1R (0.34) | ALDH1A1 | |
| SCHEMBL1463081 | 0.76 | MEN1 (0.47) | ALDH1A1TP53MAPTNPC1RAB9A | |
| SCHEMBL1462966 | 0.74 | MEN1 (0.54) | ALDH1A1TP53MAPTNPC1RAB9A | |
| SCHEMBL6710112 | 0.72 | MAP3K5 (0.45) | TP53HDAC1MAPTNPC1RAB9A | |
| SCHEMBL7432657 | 0.71 | XDH (0.51) | TP53MAPTKCNJ1NPC1RAB9A | |
| SCHEMBL1462306 | 0.71 | IDH1 (0.48) | TP53MAPTNPC1RAB9APOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-9365612-B2 | Caspase inhibitors | UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2016-06-14 | — | — | US | disclosed |