Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ACLY | P53396 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | TET2 | Q6N021 | 2/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7203715 | 1.00 | ALDH1A1 (0.38) | ALDH1A1TSHRACLYNOS1NOS2 | |
| SCHEMBL7203718 | 1.00 | ALDH1A1 (0.38) | ALDH1A1TSHRACLYNOS1NOS2 | |
| SCHEMBL2032597 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TSHRNOS1NOS2TET2 | |
| SCHEMBL6436186 | 0.76 | KCNN4 (0.43) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| SCHEMBL5524511 | 0.76 | — | — | |
| SCHEMBL5331830 | 0.74 | — | — | |
| SCHEMBL10909682 | 0.72 | TSHR (0.38) | ALDH1A1TSHRNOS1NOS2TET2 | |
| SCHEMBL889792 | 0.72 | TSHR (0.48) | ALDH1A1TSHRNOS1NOS2TET2 | |
| SCHEMBL1158850 | 0.72 | — | — | |
| SCHEMBL19977438 | 0.72 | ALDH1A1 (0.39) | ALDH1A1TSHRNOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0632028-B1 | OPTICALLY ACTIVE 2-NITROIMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND INTERMEDIATE FOR PRODUCING THE SAME | POLA CHEM IND INC (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-5532380-A | RADIOSENSITIZERS FOR CANCER THERAPY; PURE ENANTIOMORPHS | POLA CHEMICAL INDUSTRIES, INC. (JP) | 1996-07-02 | — | — | US | disclosed |
| EP-0632028-A1 | OPTICALLY ACTIVE 2-NITROIMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND INTERMEDIATE FOR PRODUCING THE SAME | POLA CHEMICAL INDUSTRIES, INC. (JP) | 1995-01-04 | — | — | EP | disclosed |