Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.38 |
| ▸ | TSHR | P16473 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CTSK | P43235 | 3/20 | 0.38 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23978678 | 0.89 | IDO1 (0.41) | EPHX2TSHRALDH1A1FKBP1A | |
| SCHEMBL30083829 | 0.89 | IDO1 (0.41) | EPHX2TSHRALDH1A1FKBP1A | |
| SCHEMBL24804641 | 0.89 | IDO1 (0.41) | EPHX2TSHRALDH1A1FKBP1A | |
| SCHEMBL23978755 | 0.86 | ALDH1A1 (0.40) | EPHX2ALDH1A1USP2HTT | |
| SCHEMBL30083852 | 0.83 | SYK (0.43) | CTSK | |
| SCHEMBL23978692 | 0.83 | SYK (0.43) | CTSK | |
| SCHEMBL23978737 | 0.82 | EPHX2 (0.58) | EPHX2TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL23978717 | 0.79 | SLC6A9 (0.35) | CYP3A4CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL24803374 | 0.79 | SLC6A9 (0.35) | CYP3A4CYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL30083853 | 0.79 | SLC6A9 (0.35) | CYP3A4CYP2C9CYP2C19TSHRALDH1A1 |
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-2021222789-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-11-04 | — | — | WO | disclosed |