Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 6/20 | 0.69 |
| ▸ | CNR2 | P34972 | 3/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | THRA | P10827 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28610518 | 0.98 | SMPD1 (0.67) | SMPD1CNR2HDAC3HDAC1HDAC2 | |
| SCHEMBL28587351 | 0.87 | SMPD1 (0.61) | SMPD1CNR2ALDH1A1HPGDPTPN11 | |
| SCHEMBL13265181 | 0.85 | SMPD1 (0.55) | SMPD1CNR2THRATHRBALDH1A1 | |
| SCHEMBL29445374 | 0.85 | SMPD1 (0.64) | SMPD1CNR2HDAC3HDAC1HDAC2 | |
| SCHEMBL1200986 | 0.84 | ALDH1A1 (0.69) | SMPD1ALDH1A1HPGDPTPN11 | |
| SCHEMBL1201602 | 0.84 | ALDH1A1 (0.69) | SMPD1ALDH1A1HPGDPTPN11 | |
| SCHEMBL1199953 | 0.84 | ALDH1A1 (0.69) | SMPD1ALDH1A1HPGDPTPN11 | |
| SCHEMBL1199847 | 0.84 | ALDH1A1 (0.69) | SMPD1ALDH1A1HPGDPTPN11 | |
| SCHEMBL1199892 | 0.84 | ALDH1A1 (0.69) | SMPD1ALDH1A1HPGDPTPN11 | |
| SCHEMBL1231278 | 0.84 | ALDH1A1 (0.69) | SMPD1ALDH1A1HPGDPTPN11 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105858592-A | Super-hydrophobic surface formed on basis of dihydrazide derivative molecular gel | 吉林大学 | 2016-08-17 | — | — | CN | claimed |
| CN-105858592-A | Super-hydrophobic surface formed on basis of dihydrazide derivative molecular gel | 吉林大学 | 2016-08-17 | — | — | CN | disclosed |