Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 6/20 | 0.67 |
| ▸ | MAPT | P10636 | 7/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.65 |
| ▸ | MEN1 | O00255 | 4/20 | 0.65 |
| ▸ | RAB9A | P51151 | 2/20 | 0.64 |
| ▸ | RECQL | P46063 | 2/20 | 0.64 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | CXCL12 | P48061 | 2/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.57 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL27349811 | 1.00 | NQO1 (0.67) | NQO1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL13100090 | 0.81 | NQO1 (0.81) | NQO1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL7757059 | 0.81 | NQO1 (1.00) | NQO1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL7757057 | 0.81 | NQO1 (1.00) | NQO1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL10362375 | 0.80 | NQO1 (0.85) | NQO1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL31419764 | 0.80 | NQO1 (0.85) | NQO1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL10362376 | 0.80 | NQO1 (0.85) | NQO1MAPTKMT2AKDM4EMEN1 | |
| SCHEMBL28245362 | 0.80 | PTGS1 (0.64) | MAPTKMT2AKDM4EMEN1RAB9A | |
| SCHEMBL28245361 | 0.80 | PTGS1 (0.64) | MAPTKMT2AKDM4EMEN1RAB9A | |
| SCHEMBL5801289 | 0.79 | KMT2A (1.00) | MAPTKMT2AKDM4EMEN1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024129601-A1 | COMPOUND EMBODIMENTS FOR MUSCLE MYOSIN INHIBITION AND METHODS OF MAKING AND USING THE SAME | BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIV. OF NEVADA (US) | 2024-06-20 | — | — | WO | disclosed |