Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | TSHR | P16473 | 3/20 | 0.63 |
| ▸ | CES2 | O00748 | 1/20 | 0.62 |
| ▸ | CES1 | P23141 | 1/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.60 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.60 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | KMO | O15229 | 1/20 | 0.57 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.55 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.55 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3844160 | 0.87 | ALDH1A1 (0.67) | ALDH1A1TSHRCES2CES1SLC6A2 | |
| SCHEMBL29408207 | 0.87 | ALDH1A1 (0.67) | ALDH1A1TSHRCES2CES1SLC6A2 | |
| SCHEMBL2599194 | 0.85 | ALDH1A1 (0.65) | ALDH1A1TSHRCES2CES1SLC6A2 | |
| SCHEMBL2599404 | 0.85 | ALDH1A1 (0.65) | ALDH1A1TSHRCES2CES1SLC6A2 | |
| SCHEMBL11064019 | 0.84 | TSHR (0.64) | ALDH1A1TSHRCES2CES1SLC6A2 | |
| SCHEMBL9423190 | 0.84 | ALDH1A1 (0.63) | ALDH1A1TSHRCES2CES1SLC6A2 | |
| SCHEMBL3801805 | 0.84 | ALDH1A1 (0.63) | ALDH1A1TSHRCES2CES1SLC6A2 | |
| Isobutane SCHEMBL6119723 | 0.82 | TSHR (0.87) | ALDH1A1TSHRCES2CES1SLC6A2 | |
| SCHEMBL27914715 | 0.81 | CES2 (0.68) | ALDH1A1TSHRCES2CES1SLC6A2 | |
| SCHEMBL6400030 | 0.81 | TP53 (0.61) | ALDH1A1TSHRCES2CES1SLC6A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0471358-B1 | Fluoroethylcamptothecin derivatives | KYORIN SEIYAKU KK (JP) | 1996-05-08 | — | — | EP | disclosed |
| EP-0325247-B1 | CAMPTOTHECIN DERIVATIVES AND PROCESS FOR PREPARING SAME | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1993-05-19 | — | — | EP | disclosed |
| EP-0471358-A1 | Fluoroethylcamptothecin derivatives | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 1992-02-19 | — | — | EP | disclosed |
| US-5061800-A | ANTITUMOR AGENTS | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1991-10-29 | — | — | US | disclosed |
| EP-0325247-A1 | Camptothecin derivatives and process for preparing same | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1989-07-26 | — | — | EP | disclosed |