Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ADH1B | P00325 | 2/20 | 0.40 |
| ▸ | ADH1C | P00326 | 2/20 | 0.40 |
| ▸ | ADH1A | P07327 | 2/20 | 0.40 |
| ▸ | ADH4 | P08319 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | ADH7 | P40394 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| Nitrous Acid SCHEMBL7972971 | 0.89 | ALDH1A1 (0.52) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL17045966 | 0.85 | ALDH1A1 (0.80) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL11007699 | 0.83 | ALDH1A1 (0.67) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL17821753 | 0.82 | ALDH1A1 (0.86) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| Ethane SCHEMBL9776531 | 0.82 | ALDH1A1 (0.86) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL17821991 | 0.82 | ALDH1A1 (0.86) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL25122871 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL24771539 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL24839013 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ADH1BADH1CADH1A | |
| SCHEMBL21375316 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HSD17B10ADH1BADH1CADH1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6090950-A | Chiral hydride complexes | ZEELAND CHEMICALS, INC. (US) | 2000-07-18 | — | — | US | disclosed |
| WO-1998007653-A1 | CHIRAL HYDRIDE COMPLEXES | ZEELAND CHEMICALS, INC. (US) | 1998-02-26 | — | — | WO | disclosed |
| EP-0721946-A1 | Process for preparing N,N-dialkyl-, -dicycloalkyl-, -diaryl or-diaralkyl-benzthiazolyl-sulfenamides | BAYER AG (DE) | 1996-07-17 | — | — | EP | disclosed |