Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.56 |
| ▸ | HPGD | P15428 | 6/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Fluorene SCHEMBL7752293 | 0.89 | TSHR (0.54) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 | |
| Fluorene SCHEMBL28556215 | 0.89 | TSHR (0.54) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 | |
| Xanthene SCHEMBL27581910 | 0.83 | MAOA (0.65) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 | |
| Anthrone SCHEMBL27887608 | 0.82 | MAOA (0.67) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 | |
| Triphenylene SCHEMBL28972585 | 0.81 | ALDH1A1 (0.82) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 | |
| Triphenylene SCHEMBL5501206 | 0.81 | ALDH1A1 (0.82) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 | |
| Naphthalene SCHEMBL87628 | 0.81 | ALDH1A1 (0.72) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL634848 | 0.81 | ALDH1A1 (0.71) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL26440 | 0.81 | ALDH1A1 (0.71) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL29906043 | 0.81 | ALDH1A1 (0.71) | TSHRCYP3A4ALDH1A1HSD17B10CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104248977-A | Method for preparation of composite photocatalyst from photosensitizer and use thereof | XINJIANG TECH INST PHYSICS CAS | 2014-12-31 | — | — | CN | claimed |