Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10791818 | 0.90 | TSHR (0.56) | ALDH1A1TP53TSHR | |
| SCHEMBL11151060 | 0.84 | ALDH1A1 (0.52) | ALDH1A1TP53TSHR | |
| SCHEMBL3075248 | 0.83 | — | — | |
| SCHEMBL9066514 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TP53TSHR | |
| SCHEMBL10894480 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TP53TSHR | |
| SCHEMBL9356554 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TP53TSHR | |
| SCHEMBL11203798 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TP53TSHR | |
| SCHEMBL4396869 | 0.76 | SOAT1 (0.37) | ALDH1A1TP53 | |
| SCHEMBL13311093 | 0.76 | ALDH1A1 (0.47) | ALDH1A1 | |
| SCHEMBL3798618 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TP53TSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-56043213-A | — | — | None | — | — | JP | disclosed |
| EP-0013818-B1 | ORGANOSILICON COMPOUNDS, THEIR PREPARATION AND ANTI-TUMOR AGENTS CONTAINING THE SAME | Shin-Etsu Chemical Co., Ltd. (JP) | 1983-04-06 | — | — | EP | disclosed |
| US-4349682-A | ANTITUMOR AGENTS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1982-09-14 | — | — | US | disclosed |
| US-4349682-A | ANTITUMOR AGENTS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1982-09-14 | — | — | US | disclosed |
| US-4328216-A | W-TRIORGANOSILYL-SUBSTITUTED LINEAR ALKANOIC ACID ANILIDE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1982-05-04 | — | — | US | disclosed |
| JP-S5643213-A | ANTITUMOR AGENT CONTAINING SILICON | SHIN ETSU CHEM CO LTD | 1981-04-21 | — | — | JP | disclosed |
| EP-0013818-A1 | Organosilicon compounds, their preparation and anti-tumor agents containing the same | Shin-Etsu Chemical Co., Ltd. (JP) | 1980-08-06 | — | — | EP | disclosed |