Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.61 |
| ▸ | HPGD | P15428 | 5/20 | 0.61 |
| ▸ | THRB | P10828 | 2/20 | 0.61 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | 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 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| Triphenylene SCHEMBL21679566 | 1.00 | CYP1A2 (0.61) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL26985 | 1.00 | CYP1A2 (0.61) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL29562533 | 1.00 | CYP1A2 (0.61) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| Charcoal, Activated SCHEMBL30872337 | 0.96 | CYP1A2 (0.58) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL5471145 | 0.96 | CYP1A2 (0.58) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL11302617 | 0.96 | CYP1A2 (0.58) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL2538508 | 0.96 | CYP1A2 (0.65) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL29511306 | 0.96 | CYP1A2 (0.65) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL3808759 | 0.92 | HSD17B10 (0.53) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL262425 | 0.92 | ALDH1A1 (0.59) | CYP1A2ALDH1A1HSD17B10HPGDTHRB |
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 |
|---|---|---|---|---|---|---|---|
| JP-2008305932-A | ORGANIC TRANSISTOR | MITSUI CHEMICALS INC | 2008-12-18 | — | — | JP | disclosed |