Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27919672 | 0.92 | SMN1; SMN2 (0.50) | SMN1; SMN2CYP3A4TSHRATMGAA | |
| SCHEMBL6863468 | 0.83 | TSHR (0.31) | SMN1; SMN2CYP3A4TSHR | |
| SCHEMBL6934889 | 0.82 | CYP3A4 (0.60) | SMN1; SMN2CYP3A4TSHRATMGAA | |
| Hydrochloric Acid SCHEMBL31143760 | 0.82 | TSHR (0.30) | SMN1; SMN2CYP3A4TSHR | |
| SCHEMBL29997762 | 0.77 | CYP3A4 (0.54) | SMN1; SMN2CYP3A4TSHRATMGAA | |
| SCHEMBL30560902 | 0.77 | PARP1 (0.42) | CYP3A4TSHRTP53KMT2AMEN1 | |
| SCHEMBL1249570 | 0.77 | PARP1 (0.42) | CYP3A4TSHRTP53KMT2AMEN1 | |
| SCHEMBL3087777 | 0.77 | CYP3A4 (0.91) | SMN1; SMN2CYP3A4TSHRATMGAA | |
| SCHEMBL11341597 | 0.76 | CYP3A4 (0.55) | SMN1; SMN2CYP3A4TSHRATMGAA | |
| SCHEMBL12871738 | 0.75 | ATM (0.46) | SMN1; SMN2CYP3A4TSHRATMGAA |
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-9006486-B2 | Synthesis of N1,N3-bis(2,3-dihydroxypropyl)-5-nitroisophthalamide | LIEBEL-FLARSHEIM COMPANY LLC (US) | 2015-04-14 | — | — | US | disclosed |