Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | FPR2 | P25090 | 1/20 | 0.41 |
| ▸ | OXER1 | Q8TDS5 | 4/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.40 |
| ▸ | PPARG | P37231 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | RXRA | P19793 | 2/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 3/20 | 0.39 |
| ▸ | F7 | P08709 | 3/20 | 0.38 |
| ▸ | F3 | P13726 | 3/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.36 |
| ▸ | FASN | P49327 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19759831 | 1.00 | ALDH1A1 (0.52) | ALDH1A1ALOX15CYP2D6TRPA1FPR2 | |
| SCHEMBL3687775 | 1.00 | ALDH1A1 (0.52) | ALDH1A1ALOX15CYP2D6TRPA1FPR2 | |
| SCHEMBL19759832 | 1.00 | ALDH1A1 (0.52) | ALDH1A1ALOX15CYP2D6TRPA1FPR2 | |
| SCHEMBL11022269 | 0.97 | ALDH1A1 (0.55) | ALDH1A1ALOX15CYP2D6TRPA1FPR2 | |
| SCHEMBL7057099 | 0.97 | ALDH1A1 (0.55) | ALDH1A1ALOX15CYP2D6TRPA1FPR2 | |
| SCHEMBL19759834 | 0.87 | ALDH1A1 (0.50) | ALDH1A1ALOX15CYP2D6OXER1CYP19A1 | |
| SCHEMBL4970454 | 0.84 | CYP2D6 (0.73) | ALDH1A1ALOX15CYP2D6FFAR3FASN | |
| SCHEMBL4078133 | 0.84 | CYP2D6 (0.73) | ALDH1A1ALOX15CYP2D6FFAR3FASN | |
| SCHEMBL1129707 | 0.81 | — | — | |
| SCHEMBL16028752 | 0.81 | ALDH1A1 (0.71) | ALDH1A1ALOX15CYP2D6OXER1CYP19A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106999558-A | Base undecylate composition of (17 β) 3 oxygen androstane-14 alkene 17 and its production and use | 来普卡公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-106999502-A | Pharmaceutical composition and method | 来普卡公司 | 2017-08-01 | — | — | CN | disclosed |
| EP-2262534-A1 | PALATABLE SOLID COMPOSITION COMPRISING ANTACID AND SALIVA STIMULANT | Bayer Consumer Care AG (CH) | 2010-12-22 | — | — | EP | disclosed |
| WO-2009112156-A1 | PALATABLE SOLID COMPOSITION COMPRISING ANTACID AND SALIVA STIMULANT | BAYER CONSUMER CARE AG (CH) | 2009-09-17 | — | — | WO | disclosed |