Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.51 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9329641 | 0.88 | PDCD1 (0.44) | PDCD1CD274ALDH1A1CYP3A4ESR1 | |
| SCHEMBL9329232 | 0.88 | PDCD1 (0.53) | PDCD1CD274ALDH1A1CYP3A4ESR1 | |
| SCHEMBL213819 | 0.88 | TSHR (0.57) | PDCD1CD274ALDH1A1CYP3A4ESR1 | |
| SCHEMBL28159387 | 0.88 | TSHR (0.57) | PDCD1CD274ALDH1A1CYP3A4ESR1 | |
| SCHEMBL18328175 | 0.88 | TSHR (0.57) | PDCD1CD274ALDH1A1CYP3A4ESR1 | |
| SCHEMBL6267290 | 0.88 | HCAR2 (0.59) | ALDH1A1CYP3A4HCAR2KMT2ATP53 | |
| SCHEMBL6392245 | 0.88 | HCAR2 (0.59) | ALDH1A1CYP3A4HCAR2KMT2ATP53 | |
| SCHEMBL2292807 | 0.88 | HCAR2 (0.59) | ALDH1A1CYP3A4HCAR2KMT2ATP53 | |
| SCHEMBL114793 | 0.88 | HCAR2 (0.59) | ALDH1A1CYP3A4HCAR2KMT2ATP53 | |
| SCHEMBL9329032 | 0.87 | PDCD1 (0.51) | PDCD1CD274ALDH1A1ESR1ESR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5332675-A | Liquid crystals | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1994-07-26 | — | — | US | disclosed |
| EP-0289307-B1 | OPTICALLY ACTIVE AROMATIC CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1992-07-08 | — | — | EP | disclosed |
| US-5019298-A | Optically active aromatic carboxylic acid derivatives and process for producing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-05-28 | — | — | US | disclosed |
| EP-0289307-A2 | Optically active aromatic carboxylic acid derivatives and process for producing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-11-02 | — | — | EP | disclosed |