Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 12/20 | 0.51 |
| ▸ | ITGAV | P06756 | 7/20 | 0.51 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.51 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.51 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.44 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.43 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | NNMT | P40261 | 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 | |
|---|---|---|---|---|
| SCHEMBL18132941 | 0.91 | ITGB3 (0.45) | ITGB3ITGAVITGB1ITGA5CACNA1B | |
| SCHEMBL16409451 | 0.90 | KEAP1 (0.46) | ITGB3ITGAVITGB1ITGA5CACNA1B | |
| SCHEMBL21906963 | 0.83 | KEAP1 (0.49) | ITGB3ITGAVITGB1ITGA5CXCR4 | |
| SCHEMBL24285405 | 0.82 | ITGB3 (0.53) | ITGB3ITGAVITGB1ITGA5CACNA1B | |
| SCHEMBL18132947 | 0.82 | ITGB3 (0.53) | ITGB3ITGAVITGB1ITGA5CACNA1B | |
| SCHEMBL21906961 | 0.81 | ITGB3 (0.47) | ITGB3ITGAVITGB1ITGA5CACNA1B | |
| SCHEMBL21907357 | 0.81 | KEAP1 (0.46) | ITGB3ITGAVITGB1ITGA5CXCR4 | |
| SCHEMBL21186414 | 0.81 | ITGB3 (0.47) | ITGB3ITGAVITGB1ITGA5CXCR4 | |
| SCHEMBL17955327 | 0.81 | ITGB3 (0.46) | ITGB3ITGAVITGB1ITGA5CXCR4 | |
| SCHEMBL16508328 | 0.81 | ITGB3 (0.47) | ITGB3ITGAVITGB1ITGA5CXCR4 |
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-2014197763-A1 | MOLECULAR DESIGN TOWARD DUAL-MODALITY PROBES FOR RADIOISOTOPE-BASED IMAGING (PET OR SPECT) AND MRI | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEAS SYSTEM (US) | 2014-12-11 | — | — | WO | disclosed |