Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KCNH3 | Q9ULD8 | 4/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6242190 | 0.89 | ALDH1A1 (0.61) | ALDH1A1MAPTL3MBTL1CYP1A2IDO1 | |
| SCHEMBL8517131 | 0.89 | ALDH1A1 (0.57) | ALDH1A1MAPTL3MBTL1RECQLMCL1 | |
| SCHEMBL8115 | 0.78 | ALDH1A1 (0.64) | ALDH1A1MAPTL3MBTL1RECQLMCL1 | |
| SCHEMBL11658460 | 0.78 | MAPT (0.52) | ALDH1A1MAPTL3MBTL1CYP1A2IDO1 | |
| Water SCHEMBL11613453 | 0.76 | ALDH1A1 (0.61) | ALDH1A1MAPTL3MBTL1RECQLMCL1 | |
| Hydrochloric Acid SCHEMBL1683326 | 0.76 | ALDH1A1 (0.61) | ALDH1A1MAPTL3MBTL1RECQLMCL1 | |
| SCHEMBL27943840 | 0.76 | ALDH1A1 (0.61) | ALDH1A1MAPTL3MBTL1RECQLMCL1 | |
| SCHEMBL27937393 | 0.76 | ALDH1A1 (0.61) | ALDH1A1MAPTL3MBTL1RECQLMCL1 | |
| Bromide SCHEMBL28400204 | 0.76 | ALDH1A1 (0.61) | ALDH1A1MAPTL3MBTL1RECQLMCL1 | |
| SCHEMBL27326258 | 0.76 | ALDH1A1 (0.61) | ALDH1A1MAPTL3MBTL1RECQLMCL1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-7017946-A | — | — | None | — | — | JP | disclosed |
| EP-0632022-B1 | Process for the preparation of amino-substituted thioethers | BAYER AG (DE) | 1996-12-27 | — | — | EP | disclosed |
| US-5410081-A | Process for the preparation of amino-substituted thioethers | BAYER AKTIENGESELLSCHAFT (DE) | 1995-04-25 | — | — | US | disclosed |
| JP-H0717946-A | PREPARATION OF AMINO-SUBSTITUTED THIOETHER | BAYER AG | 1995-01-20 | — | — | JP | disclosed |
| EP-0632022-A2 | Process for the preparation of amino-substituted thioethers | BAYER AG (DE) | 1995-01-04 | — | — | EP | disclosed |