Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 18/20 | 0.56 |
| ▸ | TP53 | P04637 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.55 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.55 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.55 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.55 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.55 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28357226 | 0.84 | SIGMAR1 (0.48) | SIGMAR1 | |
| SCHEMBL21726319 | 0.79 | IGF1R (0.44) | SIGMAR1 | |
| SCHEMBL6792043 | 0.75 | POLB (0.51) | CYP1A2CYP2D6CYP3A4CYP2C19KCNH2 | |
| SCHEMBL10132510 | 0.75 | POLB (0.51) | CYP1A2CYP2D6CYP3A4CYP2C19KCNH2 | |
| SCHEMBL7429031 | 0.74 | SIGMAR1 (0.74) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL3646954 | 0.74 | SIGMAR1 (0.54) | SIGMAR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5935280 | 0.73 | SIGMAR1 (0.80) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL5935249 | 0.72 | SIGMAR1 (0.79) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL678162 | 0.72 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2CYP2D6TSHR | |
| SCHEMBL5681292 | 0.72 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2CYP2D6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5919934-A | BISAMINOTHIOL AND AMINO COMPOUNDS WITH APPENDED PHARMACOPHORES, METAL COMPLEXES OF THESE COMPOUNDS; | THE GEORGE WASHINGTON UNIVERSITY (US) | 1999-07-06 | — | — | US | disclosed |
| WO-1998037055-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR CANCER IMAGING AND THERAPY | THE GEORGE WASHINGTON UNIVERSITY (US) | 1998-08-27 | — | — | WO | disclosed |