Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 9/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | KLK7 | P49862 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PLEC | Q15149 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11447476 | 0.82 | KLK7 (0.49) | KMT2AKDM4EPDE10AMEN1ALDH1A1 | |
| SCHEMBL9077985 | 0.78 | IDO1 (0.44) | KMT2AKDM4EMEN1ALDH1A1HSD17B10 | |
| SCHEMBL9041814 | 0.77 | NR4A1 (0.51) | KMT2AKDM4EMEN1ALDH1A1HSD17B10 | |
| SCHEMBL6390634 | 0.75 | CYP2D6 (0.49) | KMT2AKDM4EMEN1ALDH1A1HSD17B10 | |
| SCHEMBL9077636 | 0.74 | CDK2 (0.47) | KMT2AMEN1ALDH1A1POLBMAPT | |
| SCHEMBL9079767 | 0.69 | KLK7 (0.51) | KMT2AKDM4EMEN1ALDH1A1HSD17B10 | |
| SCHEMBL28356334 | 0.69 | NR4A1 (0.60) | KMT2AKDM4EMEN1ALDH1A1HSD17B10 | |
| SCHEMBL9218777 | 0.68 | IDO1 (0.51) | KMT2AKDM4EMEN1ALDH1A1HSD17B10 | |
| SCHEMBL3952992 | 0.68 | KMT2A (0.60) | KMT2AKDM4EMEN1ALDH1A1HSD17B10 | |
| SCHEMBL628515 | 0.67 | IDO1 (0.57) | KMT2AKDM4EMEN1ALDH1A1HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5585382-A | ANTICARCINOGENIC AGENTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-17 | — | — | US | disclosed |
| US-5416089-A | Antitumor agent | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-16 | — | — | US | disclosed |
| WO-1995000490-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-05 | — | — | WO | disclosed |