Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 3/20 | 0.54 |
| ▸ | CES1 | P23141 | 3/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.50 |
| ▸ | FEN1 | P39748 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4619034 | 0.87 | TSHR (0.56) | TSHRALOX15CES2CES1L3MBTL1 | |
| SCHEMBL2782261 | 0.77 | CES1 (0.52) | TSHRALOX15CES2CES1L3MBTL1 | |
| SCHEMBL27938664 | 0.76 | TSHR (0.72) | TSHRALOX15CES2CES1L3MBTL1 | |
| SCHEMBL927606 | 0.75 | CES2 (0.75) | TSHRALOX15CES2CES1L3MBTL1 | |
| 4-Chloro-Benzoic Acid SCHEMBL9194331 | 0.75 | TSHR (0.90) | TSHRALOX15CES2CES1SRD5A2 | |
| SCHEMBL15180838 | 0.75 | CES2 (0.75) | TSHRALOX15CES2CES1L3MBTL1 | |
| SCHEMBL5451212 | 0.74 | HPGD (0.48) | TSHRALOX15CES2CES1L3MBTL1 | |
| 4-Chloro-Benzoic Acid SCHEMBL28384 | 0.74 | TSHR (1.00) | TSHRALOX15CES2CES1SRD5A2 | |
| 4-Chloro-Benzoic Acid SCHEMBL1331727 | 0.74 | TSHR (1.00) | TSHRALOX15CES2CES1SRD5A2 | |
| SCHEMBL17802344 | 0.73 | CES2 (0.59) | TSHRALOX15CES2CES1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007128672-A1 | SUBSTITUTED HEXAHYDRO-1,4-DIAZEPIN-5-ONES AND COMPOSITIONS STABILIZED THEREWITH | CIBA HOLDING INC. (CH) | 2007-11-15 | — | — | WO | disclosed |