Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.42 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.42 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 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 | |
|---|---|---|---|---|
| SCHEMBL15434165 | 0.91 | HTT (0.43) | HTTKMT2AGAAESR1IP6K1 | |
| SCHEMBL15434148 | 0.83 | TRPV1 (0.41) | HTTKMT2AGAAESR1IP6K1 | |
| SCHEMBL12952672 | 0.79 | SLC6A4 (0.48) | KMT2AGAALMNASLC6A2SLC6A4 | |
| SCHEMBL584592 | 0.77 | THRB (0.61) | KMT2AESR1IP6K1IP6K3IP6K2 | |
| SCHEMBL584591 | 0.77 | THRB (0.61) | KMT2AESR1IP6K1IP6K3IP6K2 | |
| SCHEMBL2536938 | 0.76 | IP6K1 (0.49) | HTTKMT2AGAAESR1IP6K1 | |
| SCHEMBL15434107 | 0.76 | IP6K1 (0.52) | HTTKMT2AGAAESR1IP6K1 | |
| SCHEMBL2536942 | 0.76 | IP6K1 (0.49) | HTTKMT2AGAAESR1IP6K1 | |
| Hydrochloric Acid SCHEMBL27902702 | 0.75 | THRB (0.59) | KMT2AESR1IP6K1IP6K3IP6K2 | |
| SCHEMBL15429145 | 0.74 | SLC6A4 (0.45) | LMNASLC6A2SLC6A4SLC6A3 |
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-8633245-B2 | PAI-1 inhibitor | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2014-01-21 | — | — | US | disclosed |