Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8991033 | 0.91 | TSHR (0.68) | TSHRHSD17B10HRH3MAPTMEN1 | |
| SCHEMBL9664336 | 0.88 | ALOX5 (0.41) | HSD17B10MAPT | |
| SCHEMBL8990636 | 0.84 | MAOB (0.47) | HSD17B10MAPTALDH1A1 | |
| SCHEMBL9664848 | 0.84 | TAAR1 (0.40) | HSD17B10MAPT | |
| SCHEMBL9317548 | 0.83 | TSHR (0.71) | TSHRHSD17B10HRH3CYP2A6KIF11 | |
| SCHEMBL8379783 | 0.83 | TSHR (0.71) | TSHRHSD17B10HRH3CYP2A6KIF11 | |
| SCHEMBL17108410 | 0.83 | TSHR (0.51) | TSHRHSD17B10HRH3CYP2A6KIF11 | |
| SCHEMBL9664166 | 0.82 | RARB (0.46) | TSHRHSD17B10MAPTMEN1ALDH1A1 | |
| SCHEMBL9664954 | 0.82 | RARB (0.47) | HSD17B10KIF11MAPT | |
| SCHEMBL2041798 | 0.82 | TSHR (0.73) | TSHRHSD17B10HRH3CYP2A6KIF11 |
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 |
|---|---|---|---|---|---|---|---|
| US-5496499-A | Biphenylethanes and liquid-crystalline phase | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-03-05 | — | — | US | disclosed |
| EP-0429558-B1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE | MERCK PATENT GMBH (DE) | 1994-03-30 | — | — | EP | disclosed |