Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 1.00 |
| ▸ | G6PD | P11413 | 2/20 | 1.00 |
| ▸ | HPGD | P15428 | 2/20 | 1.00 |
| ▸ | ALOX15 | P16050 | 2/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 1.00 |
| ▸ | TP53 | P04637 | 1/20 | 1.00 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 1/20 | 1.00 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MGLL | Q99685 | 4/20 | 0.47 |
| ▸ | FAAH | O00519 | 3/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7926713 | 1.00 | ALDH1A1 (1.00) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL8352210 | 1.00 | ALDH1A1 (1.00) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL15648 | 1.00 | ALDH1A1 (1.00) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL9319735 | 1.00 | ALDH1A1 (1.00) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL11192371 | 1.00 | ALDH1A1 (1.00) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL8594779 | 1.00 | ALDH1A1 (1.00) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL7927915 | 1.00 | ALDH1A1 (1.00) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL6906065 | 1.00 | ALDH1A1 (1.00) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| SCHEMBL8594870 | 1.00 | ALDH1A1 (1.00) | ALDH1A1G6PDHPGDALOX15HSD17B10 | |
| Hydrochloric Acid SCHEMBL9129130 | 0.98 | ALDH1A1 (0.96) | ALDH1A1G6PDHPGDALOX15HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6228382-B1 | ALKYLISOTHIAZOLIN-3-ONE WITH OCTANOL/WATER | ETC C.V. (BM) | 2001-05-08 | — | — | US | claimed |
| EP-0816349-A1 | NOVEL CLATHRATE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND COATING COMPOSITION CONTAINING SAID NOVEL CLATHRATE COMPOUND | ROHM AND HAAS COMPANY (US) | 1998-01-07 | — | — | EP | disclosed |