Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7879387 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19NR5A1THRA | |
| SCHEMBL27491616 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19NR5A1THRA | |
| SCHEMBL8904958 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19NR5A1THRA | |
| SCHEMBL8910445 | 0.98 | THRA (0.42) | CYP1A2CYP2C9CYP2C19NR5A1THRA | |
| SCHEMBL8902785 | 0.98 | THRA (0.42) | CYP1A2CYP2C9CYP2C19NR5A1THRA | |
| SCHEMBL5620877 | 0.98 | THRA (0.42) | CYP1A2CYP2C9CYP2C19NR5A1THRA | |
| SCHEMBL8930879 | 0.98 | THRA (0.42) | CYP1A2CYP2C9CYP2C19NR5A1THRA | |
| SCHEMBL7881714 | 0.93 | L3MBTL1 (0.47) | CYP1A2CYP2C9CYP2C19NR5A1THRA | |
| SCHEMBL27490211 | 0.92 | SMPD1 (0.45) | THRATHRBALDH1A1TDP1L3MBTL1 | |
| SCHEMBL29329243 | 0.89 | L3MBTL1 (0.46) | CYP1A2CYP2C9CYP2C19MEN1KMT2A |
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-1214073-A | Ferroelectric liquid crystal mixture | HOECHST AG (DE) | 1999-04-14 | — | — | CN | disclosed |