Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.47 |
| ▸ | FEN1 | P39748 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27908748 | 0.82 | ALDH1A1 (0.53) | ALDH1A1CES2CES1POLBERCC5 | |
| SCHEMBL12431222 | 0.78 | CES2 (0.60) | ALDH1A1CES2CES1POLBERCC5 | |
| SCHEMBL11768054 | 0.78 | ALDH1A1 (0.95) | ALDH1A1CES2CES1POLBERCC5 | |
| SCHEMBL4878726 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CES2CES1POLBERCC5 | |
| SCHEMBL28127994 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CES2CES1POLBERCC5 | |
| SCHEMBL2625461 | 0.77 | CES2 (0.58) | ALDH1A1CES2CES1POLBERCC5 | |
| SCHEMBL29477191 | 0.77 | CES1 (0.58) | ALDH1A1CES2CES1POLBERCC5 | |
| SCHEMBL1471234 | 0.77 | CES1 (0.58) | ALDH1A1CES2CES1POLBERCC5 | |
| SCHEMBL29792964 | 0.75 | HPGD (0.48) | ALDH1A1ERCC5FEN1TSHRRAB9A | |
| SCHEMBL29424792 | 0.75 | HPGD (0.48) | ALDH1A1ERCC5FEN1TSHRRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0937705-B1 | Process for preparing D-alloisoleucine and intermediates for preparation | YAMAKAWA CHEMICAL IND (JP) | 2003-05-07 | — | — | EP | disclosed |
| US-6310242-B1 | Process for preparing D-alloisoleucine and intermediates for preparation | YAMAKAWA CHEMICAL INDUSTRY CO., LTD. (JP) | 2001-10-30 | — | — | US | disclosed |
| EP-0937705-A2 | Process for preparing D-alloisoleucine and intermediates for preparation | YAMAKAWA CHEMICAL INDUSTRY CO., LTD. (JP) | 1999-08-25 | — | — | EP | disclosed |