Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | ICMT | O60725 | 1/20 | 0.35 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL27339127 | 0.96 | TSHR (0.50) | TSHRALDH1A1LTA4HTDP1NPC1 | |
| Fluorobenzene SCHEMBL28185720 | 0.94 | TSHR (0.48) | TSHRALDH1A1LTA4HTDP1NPC1 | |
| Fluorobenzene SCHEMBL28076098 | 0.88 | TSHR (0.48) | TSHRALDH1A1LTA4HTDP1NPC1 | |
| SCHEMBL27715304 | 0.81 | TSHR (0.52) | TSHRALDH1A1LTA4HTDP1 | |
| Biphenyl SCHEMBL27599273 | 0.79 | TSHR (0.55) | TSHRALDH1A1LTA4HTDP1MMP2 | |
| Fluorobenzene SCHEMBL27503184 | 0.78 | TP53 (0.41) | TSHRALDH1A1TDP1RAB9ATP53 | |
| Benzene SCHEMBL3206244 | 0.78 | TSHR (0.75) | TSHRALDH1A1LTA4HTDP1HSP90AA1 | |
| Benzene SCHEMBL28552874 | 0.78 | TSHR (0.75) | TSHRALDH1A1LTA4HTDP1HSP90AA1 | |
| Toluene SCHEMBL8845046 | 0.77 | TSHR (0.52) | TSHRALDH1A1LTA4HTDP1NPC1 | |
| Biphenyl SCHEMBL28541047 | 0.77 | TSHR (0.59) | TSHRALDH1A1LTA4HTDP1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102993203-B | The preparations and applicatio of 8-phenyl yanthine analog derivative | WENZHOU MEDICAL COLLEGE (CN) | 2015-11-25 | — | — | CN | disclosed |
| CN-102993203-A | Preparation of 8-benzyl xanthine derivative and application | WENZHOU MEDICAL COLLEGE | 2013-03-27 | — | — | CN | disclosed |