Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Isoleucine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 4/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 4/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.34 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 5/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 0.33 |
| ▸ | MME | P08473 | 2/20 | 0.30 |
| ▸ | ACE | P12821 | 2/20 | 0.30 |
| ▸ | CPA1 | P15085 | 2/20 | 0.30 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.30 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.30 |
| ▸ | GRM8 | O00222 | 1/20 | 0.30 |
| ▸ | GRM6 | O15303 | 1/20 | 0.30 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.30 |
| ▸ | GSR | P00390 | 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 | |
|---|---|---|---|---|
| Isoleucine SCHEMBL21812064 | 0.97 | PTGS1 (0.44) | PTGS1SLC7A11SLC1A3SLC1A2SLC1A1 | |
| Isoleucine SCHEMBL3374935 | 0.94 | PTGS1 (0.53) | PTGS1SLC7A11SLC1A3SLC1A2SLC1A1 | |
| Threonine SCHEMBL23883208 | 0.91 | PTGS1 (0.57) | PTGS1SLC7A11SLC1A3SLC1A2SLC1A1 | |
| Isoleucine SCHEMBL10610189 | 0.87 | PTGS1 (0.61) | PTGS1SLC7A11SLC1A3SLC1A2SLC1A1 | |
| Isoleucine SCHEMBL6809072 | 0.87 | PTGS1 (0.61) | PTGS1SLC7A11SLC1A3SLC1A2SLC1A1 | |
| Isoleucine SCHEMBL10610194 | 0.87 | PTGS1 (0.61) | PTGS1SLC7A11SLC1A3SLC1A2SLC1A1 | |
| Leucine SCHEMBL3497004 | 0.87 | SLC7A5 (0.51) | PTGS1SLC7A11SLC1A3SLC1A2SLC1A1 | |
| Leucine SCHEMBL8021491 | 0.85 | SLC7A5 (0.53) | SLC1A3SLC1A2SLC1A1SLC7A5DPP4 | |
| Leucine SCHEMBL8021495 | 0.85 | SLC7A5 (0.53) | SLC1A3SLC1A2SLC1A1SLC7A5DPP4 | |
| Threonine SCHEMBL8074439 | 0.85 | PTGS1 (0.50) | PTGS1SLC7A11SLC1A3SLC1A2SLC1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8329395-B2 | Thiamin production by fermentation | DSM IP ASSETS B.V. (NL) | 2012-12-11 | — | — | US | disclosed |
| EP-1651780-B1 | THIAMIN PRODUCTION BY FERMENTATION | DSM IP ASSETS BV (NL) | 2010-11-03 | — | — | EP | disclosed |
| US-20090233296-A1 | Thiamin production by fermentation | GOESE MARKUS G | 2009-09-17 | — | — | US | disclosed |
| EP-1651780-A2 | THIAMIN PRODUCTION BY FERMENTATION | DSM IP Assets B.V. (NL) | 2006-05-03 | — | — | EP | disclosed |
| WO-2004106557-A2 | THIAMIN PRODUCTION BY FERMENTATION | DSM IP ASSETS B.V. (NL) | 2004-12-09 | — | — | WO | disclosed |