Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6656057 | 0.89 | SLC6A2 (0.47) | CYP1A2HSD17B10ALDH1A1HPRT1SLC6A2 | |
| SCHEMBL753956 | 0.88 | HPRT1 (0.41) | CYP1A2HSD17B10HPGDALDH1A1THRB | |
| Trimethylammonium SCHEMBL9995406 | 0.78 | SLC6A2 (0.51) | SLC6A2SLC6A4HTR6SLC6A3KMT2A | |
| SCHEMBL28897618 | 0.76 | HSD17B10 (0.58) | CYP1A2HSD17B10HPGDALDH1A1THRB | |
| SCHEMBL5502711 | 0.72 | HTR6 (0.43) | SLC6A2SLC6A4HTR6SLC6A3DHFR | |
| SCHEMBL28118916 | 0.71 | ALDH1A1 (0.47) | CYP1A2HSD17B10HPGDALDH1A1THRB | |
| Chrysene SCHEMBL18546560 | 0.71 | HSD17B10 (0.75) | CYP1A2HSD17B10HPGDALDH1A1THRB | |
| Benzo[E]Pyrene SCHEMBL9998154 | 0.71 | HSD17B10 (0.84) | CYP1A2HSD17B10HPGDALDH1A1THRB | |
| SCHEMBL2233815 | 0.71 | HSD17B10 (0.75) | CYP1A2HSD17B10HPGDALDH1A1THRB | |
| SCHEMBL11218673 | 0.71 | RORC (0.45) | CYP1A2HSD17B10HPGDALDH1A1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090234040-A1 | ACTIVE ENERGY RAY-CURABLE INK COMPOSITION, STORAGE CONTAINER FOR ACTIVE ENERGY RAY-CURABLE INK COMPOSITION, AND METHOD FOR STORING ACTIVE ENERGY RAY-CURABLE INK COMPOSITION | KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) | 2009-09-17 | — | — | US | disclosed |