Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.48 |
| ▸ | HPGD | P15428 | 5/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL15797401 | 0.94 | HSD17B10 (0.52) | HSD17B10ALDH1A1CYP1A2HPGDTHRB | |
| SCHEMBL20508231 | 0.82 | CYP1B1 (0.46) | HSD17B10ALDH1A1CYP1A2HPGDTHRB | |
| SCHEMBL29977314 | 0.82 | CYP1A2 (0.48) | HSD17B10ALDH1A1CYP1A2HPGDTHRB | |
| SCHEMBL186670 | 0.82 | CYP1A2 (0.48) | HSD17B10ALDH1A1CYP1A2HPGDTHRB | |
| SCHEMBL29549980 | 0.82 | CYP1A2 (0.48) | HSD17B10ALDH1A1CYP1A2HPGDTHRB | |
| SCHEMBL1414075 | 0.82 | CYP1A1 (0.50) | HSD17B10ALDH1A1CYP1A2HPGDTHRB | |
| Lithium SCHEMBL30967321 | 0.80 | CYP1A2 (0.46) | HSD17B10ALDH1A1CYP1A2HPGDTHRB | |
| Methane SCHEMBL28604850 | 0.80 | CYP1A2 (0.46) | HSD17B10ALDH1A1CYP1A2HPGDTHRB | |
| SCHEMBL1920365 | 0.79 | HSD17B10 (0.48) | HSD17B10ALDH1A1CYP1A2HPGDTHRB | |
| SCHEMBL1933777 | 0.79 | HPRT1 (0.58) | HSD17B10ALDH1A1CYP1A2HPGDTHRB |
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 |
|---|---|---|---|---|---|---|---|
| JP-2005289892-A | 1,1-DIALKYL-3-(4-PHENANTHRENYL)-2-PROPYN-1-OL DERIVATIVE | KONICA MINOLTA CHEMICAL CO LTD | 2005-10-20 | — | — | JP | disclosed |
| JP-2005289893-A | 4-(TRIALKYLSILYLETHYNYL)PHENANTHRENE DERIVATIVE | KONICA MINOLTA CHEMICAL CO LTD | 2005-10-20 | — | — | JP | disclosed |