Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3336700 | 0.78 | HTR2A (0.39) | TSHRALDH1A1MAOBCYP2A6LMNA | |
| SCHEMBL3243405 | 0.76 | TSHR (0.48) | TSHRALDH1A1MAOBCYP2A6LMNA | |
| (Z)-1,2-Diphenylethene SCHEMBL1892117 | 0.73 | MAOB (0.58) | ALDH1A1MAOBNFE2L2CYP19A1MAOA | |
| SCHEMBL148999 | 0.72 | MAOB (0.50) | ALDH1A1MAOBLMNAMAPK1NFE2L2 | |
| SCHEMBL5455161 | 0.72 | MAOB (0.50) | ALDH1A1MAOBLMNAMAPK1NFE2L2 | |
| SCHEMBL184701 | 0.71 | ALDH1A1 (0.41) | TSHRALDH1A1MAOBCYP2A6LMNA | |
| SCHEMBL8007285 | 0.71 | HTR2A (0.41) | TSHRALDH1A1MAOBCYP2A6LMNA | |
| SCHEMBL315078 | 0.71 | HTR2A (0.41) | TSHRALDH1A1MAOBCYP2A6LMNA | |
| SCHEMBL7366231 | 0.69 | ALDH1A1 (0.39) | TSHRALDH1A1MAOBCYP2A6LMNA | |
| SCHEMBL136292 | 0.67 | — | — |
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-105063103-A | Method for producing chiral phenyl dichloroethanol with molds | UNIV QINGDAO SCIENCE & TECHNOLOGY | 2015-11-18 | — | — | CN | disclosed |