Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | INPP5A | Q14642 | 3/20 | 0.35 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | ITPR3 | Q14573 | 7/20 | 0.33 |
| ▸ | ITPR2 | Q14571 | 3/20 | 0.33 |
| ▸ | ITPR1 | Q14643 | 3/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | INPPL1 | O15357 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL26919943 | 0.94 | INPP5A (0.38) | INPP5ASMPD1ITPR3ITPR2ITPR1 | |
| SCHEMBL25642458 | 0.94 | INPP5A (0.38) | INPP5ASMPD1ITPR3ITPR2ITPR1 | |
| SCHEMBL29167358 | 0.89 | — | — | |
| SCHEMBL5961173 | 0.82 | GAA (0.33) | GAASMN1; SMN2 | |
| SCHEMBL30861825 | 0.80 | ALDH1A1 (0.31) | ANPEPSMN1; SMN2 | |
| SCHEMBL24511964 | 0.79 | MVD (0.33) | INPP5A | |
| SCHEMBL28378095 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL30473353 | 0.75 | — | — | |
| SCHEMBL9320444 | 0.74 | — | — | |
| SCHEMBL30223384 | 0.74 | INPP5A (0.36) | INPP5ASMPD1ITPR3ITPR2ITPR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004087164-A1 | 8-NITRO-TRYPTANTHRIN AND OTHER TRYPTANTHRIN DERIVATIVES USED FOR THE TREATMENT OF DISEASES CAUSED BY HIGHLY PROLIFERATING CELLS | UNIVERSITÄTSKLINIKUM CHARITÉ DER HUMBOLDT-UNIVERSITÄT ZU BERLIN (DE) | 2004-10-14 | — | — | WO | claimed |
| CN-110869544-B | Cyclic peptide compound having high membrane permeability and library comprising same | 中外制药株式会社 | 2024-03-08 | — | — | CN | disclosed |
| WO-2004087164-A1 | 8-NITRO-TRYPTANTHRIN AND OTHER TRYPTANTHRIN DERIVATIVES USED FOR THE TREATMENT OF DISEASES CAUSED BY HIGHLY PROLIFERATING CELLS | UNIVERSITÄTSKLINIKUM CHARITÉ DER HUMBOLDT-UNIVERSITÄT ZU BERLIN (DE) | 2004-10-14 | — | — | WO | disclosed |