Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPI | P34949 | 1/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.31 |
| ▸ | PGK2 | P07205 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3478377 | 0.78 | MPI (0.34) | MPISMPD1 | |
| SCHEMBL60462 | 0.77 | MPI (0.44) | MPISMPD1PGK1PGK2 | |
| SCHEMBL2725372 | 0.74 | SMPD1 (0.35) | MPISMPD1 | |
| SCHEMBL6429913 | 0.73 | PTPN1 (0.38) | MPI | |
| SCHEMBL7639200 | 0.73 | PTPN1 (0.38) | MPI | |
| SCHEMBL139867 | 0.73 | PTPN1 (0.38) | MPI | |
| SCHEMBL9126614 | 0.72 | — | — | |
| SCHEMBL3507130 | 0.70 | PTPN1 (0.36) | MPI | |
| SCHEMBL1921547 | 0.70 | PTPN1 (0.36) | MPI | |
| SCHEMBL3507128 | 0.70 | PTPN1 (0.36) | MPI |
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-8311790-B2 | Reverse engineering genome-scale metabolic network reconstructions for organisms with incomplete genome annotation and developing constraints using proton flux states and numerically-determined sub-systems | UNIVERSITY OF DELAWARE (US) | 2012-11-13 | — | — | US | disclosed |
| US-20090259451-A1 | REVERSE ENGINEERING GENOME-SCALE METABOLIC NETWORK RECONSTRUCTIONS FOR ORGANISMS WITH INCOMPLETE GENOME ANNOTATION AND DEVELOPING CONSTRAINTS USING PROTON FLUX STATES AND NUMERICALLY-DETERMINED SUB-SYSTEMS | UNIVERSITY OF DELAWARE (US) | 2009-10-15 | — | — | US | disclosed |