Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.50 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.38 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.32 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.32 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL28266809 | 0.83 | SLC22A1 (0.55) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL16426824 | 0.82 | SLC22A1 (0.67) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Tetrabuthylammonium SCHEMBL28513085 | 0.78 | SLC22A1 (0.60) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| SCHEMBL3105061 | 0.75 | LMNA (0.38) | CYP3A4 | |
| Octane SCHEMBL3365134 | 0.75 | LPAR3 (0.43) | ALDH1A1ALOX15TSHRHSD17B10LPAR1 | |
| Dodecane SCHEMBL3981737 | 0.75 | LPAR3 (0.43) | ALDH1A1ALOX15TSHRHSD17B10LPAR1 | |
| SCHEMBL96445 | 0.74 | — | — | |
| SCHEMBL87397 | 0.73 | — | — | |
| Tetrabuthylammonium SCHEMBL16426823 | 0.72 | SLC22A1 (0.67) | SLC22A1SLC22A2ALDH1A1TP53CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL2540900 | 0.71 | LPAR3 (0.45) | TSHRLPAR1LPAR3LPAR2 |
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-5700786-A | Analogues of adenosine 5'diphosphate and pharmaceutical compositions thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1997-12-23 | — | — | US | disclosed |
| WO-1994029331-A1 | NICOTINAMIDE RIBONUCLEOTIDE ISOSTERS, ISOSTERIC NAD ANALOGUES. THEIR SYNTHESES AND USE IN TREATMENTS OF ALCOHOLISM AND NEOPLASTIC DISEASES | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1994-12-22 | — | — | WO | disclosed |