Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11460394 | 1.00 | TSHR (0.50) | TSHRCASP1HPGDL3MBTL1CYP2D6 | |
| SCHEMBL5442210 | 1.00 | TSHR (0.50) | TSHRCASP1HPGDL3MBTL1CYP2D6 | |
| SCHEMBL11884405 | 1.00 | TSHR (0.50) | TSHRCASP1HPGDL3MBTL1CYP2D6 | |
| SCHEMBL5442205 | 1.00 | TSHR (0.50) | TSHRCASP1HPGDL3MBTL1CYP2D6 | |
| SCHEMBL10965766 | 1.00 | TSHR (0.50) | TSHRCASP1HPGDL3MBTL1CYP2D6 | |
| SCHEMBL11884398 | 1.00 | TSHR (0.50) | TSHRCASP1HPGDL3MBTL1CYP2D6 | |
| SCHEMBL187818 | 0.97 | — | — | |
| SCHEMBL467996 | 0.97 | — | — | |
| SCHEMBL12110412 | 0.97 | — | — | |
| Water SCHEMBL7172229 | 0.95 | TSHR (0.43) | TSHRCASP1HPGDL3MBTL1CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4388467-A | NEUROLEPTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1983-06-14 | — | — | US | disclosed |
| US-4334070-A | NEUROLEPTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1982-06-08 | — | — | US | disclosed |
| US-4206112-A | α-Nitrosoketal dimers and production of α-oximinoketals therefrom | ALLIED CHEMICAL CORPORATION (US) | 1980-06-03 | — | — | US | disclosed |
| US-4045422-A | NITROSATING AN ALKOXYALKENE | ALLIED CHEMICAL CORPORATION (US) | 1977-08-30 | — | — | US | disclosed |