Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | TACR1 | P25103 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | EED | O75530 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20936791 | 1.00 | ALDH1A1 (0.51) | ALDH1A1CYP2A13ATMPOLBKMT2A | |
| SCHEMBL15084377 | 0.77 | ALDH1A1 (0.54) | ALDH1A1CYP2A13ATMPOLBKMT2A | |
| SCHEMBL2858039 | 0.77 | ALDH1A1 (0.64) | ALDH1A1CYP2A13ATMPOLBKMT2A | |
| SCHEMBL15084375 | 0.77 | ALDH1A1 (0.54) | ALDH1A1CYP2A13ATMPOLBKMT2A | |
| Hydrochloric Acid SCHEMBL4221800 | 0.76 | ATM (0.55) | ALDH1A1CYP2A13ATMPOLBKMT2A | |
| SCHEMBL24202587 | 0.76 | ALDH1A1 (0.58) | ALDH1A1CYP2A13ATMPOLBKMT2A | |
| SCHEMBL20937473 | 0.76 | FUCA1 (0.53) | — | |
| SCHEMBL20936788 | 0.76 | FUCA1 (0.53) | — | |
| SCHEMBL24202617 | 0.73 | ALDH1A1 (0.54) | ALDH1A1CYP2A13ATMPOLBKMT2A | |
| SCHEMBL8327714 | 0.73 | BCHE (0.43) | — |
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-2019079783-A1 | ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | VANDERBILT UNIVERSITY (US) | 2019-04-25 | — | — | WO | disclosed |