Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL22201128 | 0.81 | NR1H4 (0.36) | NR1H4LMNACYP2D6CYP1A2CYP3A4 | |
| SCHEMBL27458184 | 0.77 | NR1H4 (0.44) | NR1H4LMNAHSD17B10PTPN2PTPN1 | |
| SCHEMBL3885825 | 0.72 | CYP2D6 (0.39) | LMNACYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL934147 | 0.72 | HDAC1 (0.57) | PTPN2PTPN1PTPN6PTPN11HDAC1 | |
| Hydrochloric Acid SCHEMBL30882461 | 0.70 | HDAC1 (0.55) | HRH3PTPN2PTPN1PTPN6PTPN11 | |
| SCHEMBL12993264 | 0.70 | NR1H4 (0.53) | NR1H4LMNACYP2C19EPHX2ALDH1A1 | |
| SCHEMBL2093510 | 0.69 | TAAR1 (0.50) | LMNAHPGDHSD17B10HDAC1HDAC8 | |
| SCHEMBL661277 | 0.69 | PLAAT3 (0.51) | CYP1A2HSD17B10HDAC1HDAC8SMN1; SMN2 | |
| SCHEMBL8817386 | 0.69 | ALDH1A1 (0.51) | LMNAHPGDTHRATHRBHSD17B10 | |
| SCHEMBL6823215 | 0.69 | HDAC1 (0.45) | LMNAHSD17B10HDAC1HDAC8ALDH1A1 |
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-2020141734-A1 | METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR | 기초과학연구원 | 2020-07-09 | — | — | WO | disclosed |