Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OTC | P00480 | 1/20 | 0.57 |
| ▸ | DDAH1 | O94760 | 4/20 | 0.53 |
| ▸ | GSR | P00390 | 2/20 | 0.50 |
| ▸ | NOS2 | P35228 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 4/20 | 0.46 |
| ▸ | NOS3 | P29474 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ARG2 | P78540 | 4/20 | 0.46 |
| ▸ | ARG1 | P05089 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| L-Citrulline SCHEMBL366090 | 1.00 | OTC (0.57) | OTCDDAH1GSRNOS2CYP1A2 | |
| L-Citrulline SCHEMBL15909605 | 0.98 | OTC (0.59) | OTCDDAH1GSRNOS2CYP1A2 | |
| L-Citrulline SCHEMBL22426116 | 0.98 | OTC (0.59) | OTCDDAH1GSRNOS2CYP1A2 | |
| L-Citrulline SCHEMBL20587 | 0.98 | OTC (0.59) | OTCDDAH1GSRNOS2CYP1A2 | |
| L-Citrulline SCHEMBL215403 | 0.98 | OTC (0.59) | OTCDDAH1GSRNOS2CYP1A2 | |
| L-Citrulline SCHEMBL437142 | 0.98 | OTC (0.59) | OTCDDAH1GSRNOS2CYP1A2 | |
| L-Citrulline SCHEMBL4542892 | 0.98 | OTC (0.59) | OTCDDAH1GSRNOS2CYP1A2 | |
| L-Citrulline SCHEMBL9070200 | 0.98 | OTC (0.59) | OTCDDAH1GSRNOS2CYP1A2 | |
| L-Citrulline SCHEMBL15909604 | 0.98 | OTC (0.59) | OTCDDAH1GSRNOS2CYP1A2 | |
| L-Citrulline SCHEMBL288641 | 0.98 | OTC (0.59) | OTCDDAH1GSRNOS2CYP1A2 |
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-3694646-A1 | A STREAMLINED METHOD FOR ANALYTICAL VALIDATION OF BIOCHEMICALS DETECTED USING AN UNTARGETED MASS-SPECTROMETRY PLATFORM | Metabolon, Inc. (US) | 2020-08-19 | — | — | EP | disclosed |
| WO-2019074757-A1 | A STREAMLINED METHOD FOR ANALYTICAL VALIDATION OF BIOCHEMICALS DETECTED USING AN UNTARGETED MASS-SPECTROMETRY PLATFORM | METABOLON, INC. (US) | 2019-04-18 | — | — | WO | disclosed |
| WO-2012009538-A2 | ADIPOCYTE-DERIVED MEMBRANE EXTRACT WITH BIOLOGICAL ACTIVITY | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2012-01-19 | — | — | WO | disclosed |