Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 2/20 | 0.39 |
| ▸ | SCN4A | P35499 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | WNT3 | P56703 | 2/20 | 0.33 |
| ▸ | SFRP1 | Q8N474 | 2/20 | 0.33 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3113683 | 0.89 | CTSC (0.47) | CTSCSCN4AKMT2AHTR2CHTR2B | |
| SCHEMBL3113689 | 0.89 | CTSC (0.47) | CTSCSCN4AKMT2AHTR2CHTR2B | |
| SCHEMBL19412130 | 0.87 | CTSC (0.37) | CTSCSCN4AKMT2AHTR2CHTR2B | |
| SCHEMBL19412214 | 0.84 | CTSC (0.37) | CTSCSCN4AHTR6HTR2CHTR2B | |
| SCHEMBL19412253 | 0.82 | CTSC (0.34) | CTSCSCN4AHTR2CHTR2BALDH1A1 | |
| SCHEMBL6429094 | 0.81 | CTSC (0.37) | CTSCSCN4AKMT2AHTR6ADAMTS5 | |
| SCHEMBL19412225 | 0.81 | PRCP (0.34) | CTSCSCN4AHTR2CHTR2BALDH1A1 | |
| SCHEMBL19412165 | 0.81 | PRCP (0.34) | CTSCSCN4AHTR2CHTR2BALDH1A1 | |
| SCHEMBL19412177 | 0.79 | CTSC (0.33) | CTSCSCN4AHTR2CHTR2BKDM4E | |
| SCHEMBL27565204 | 0.78 | CTSC (0.47) | CTSCSCN4AELANEHTR2CHTR2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3436046-A2 | INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE | The Regents of The University of California (US) | 2019-02-06 | — | — | EP | disclosed |
| WO-2017173302-A2 | INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-10-05 | — | — | WO | disclosed |