Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | AGXT | P21549 | 1/20 | 0.40 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9576999 | 1.00 | TSHR (0.44) | TSHRIDO1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL6806227 | 0.84 | TSHR (0.41) | TSHRIDO1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL20995917 | 0.83 | TSHR (0.48) | TSHRIDO1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL2554445 | 0.83 | TAAR1 (0.52) | TSHRIDO1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL92279 | 0.81 | TSHR (0.46) | TSHRIDO1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL12549624 | 0.81 | TSHR (0.46) | TSHRIDO1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL14310474 | 0.81 | TSHR (0.46) | TSHRIDO1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL647501 | 0.79 | TRPA1 (0.48) | TSHRIDO1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL18579815 | 0.79 | IDO1 (0.46) | TSHRIDO1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL7864015 | 0.79 | IDO1 (0.46) | TSHRIDO1SLC1A3SLC1A2SLC1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6306828-B1 | ENTERIC OR PARENTAL SOLUTION OF ALPHA-AND/OR BETA-D-GLUCOPYRANOSYL C2-C20 ALKANOATE; WOUND HEALING AGENTS; DIETETICS; TRAUMAS, METABOLIC DISORDERS | BAXTER INTERNATIONAL, INC. | 2001-10-23 | — | — | US | disclosed |
| EP-0736256-B1 | Enantiomerically-enhanced nutritional energy substrates | BAXTER INT (US) | 1999-06-23 | — | — | EP | disclosed |
| EP-0736256-A1 | Enantiomerically-enhanced nutritional energy substrates | CLINTEC NUTRITION COMPANY (US) | 1996-10-09 | — | — | EP | disclosed |