Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6939034 | 0.76 | ALDH1A1 (0.39) | ALDH1A1PKM | |
| SCHEMBL1783524 | 0.76 | TSHR (0.35) | ALDH1A1PKMTSHR | |
| SCHEMBL17272640 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TSHR | |
| SCHEMBL1424739 | 0.75 | ALDH1A1 (0.32) | ALDH1A1PKM | |
| SCHEMBL8411151 | 0.75 | ALDH1A1 (0.48) | ALDH1A1TSHR | |
| SCHEMBL4711559 | 0.73 | — | — | |
| SCHEMBL8584723 | 0.70 | TSHR (0.52) | ALDH1A1KDM4ETSHR | |
| SCHEMBL17279084 | 0.70 | ALDH1A1 (0.40) | ALDH1A1 | |
| SCHEMBL8764812 | 0.70 | ALDH1A1 (0.30) | ALDH1A1TSHR | |
| SCHEMBL8764815 | 0.70 | ALDH1A1 (0.30) | ALDH1A1TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0811607-B1 | Process for the nitrosation of C-H- acid compounds | HUELS CHEMISCHE WERKE AG (DE) | 1999-09-08 | — | — | EP | disclosed |
| EP-0811602-B1 | Process for the preparation of salts of the aminomalonic ester | HUELS CHEMISCHE WERKE AG (DE) | 1999-07-28 | — | — | EP | disclosed |
| US-5861533-A | Process for nitrosation of C-H-acidic compounds | HUELS AKTIENGESELLSCHAFT (DE) | 1999-01-19 | — | — | US | disclosed |
| US-5847197-A | Process for the preparation of aminomalonic acid ester salts | HUELS AKTIENGESELLSCHAFT (DE) | 1998-12-08 | — | — | US | disclosed |
| EP-0811602-A1 | Process for the preparation of salts of the aminomalonic ester | HÜLS AKTIENGESELLSCHAFT (DE) | 1997-12-10 | — | — | EP | disclosed |
| EP-0811607-A1 | Process for the nitrosation of C-H- acid compounds | HÜLS AKTIENGESELLSCHAFT (DE) | 1997-12-10 | — | — | EP | disclosed |