Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.39 |
| ▸ | LSS | P48449 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9474547 | 0.86 | TSHR (0.49) | TSHRALDH1A1HPGDLMNAALOX12 | |
| SCHEMBL4177603 | 0.85 | TSHR (0.46) | TSHRALDH1A1HPGDLMNAALOX12 | |
| SCHEMBL10412981 | 0.84 | ALDH1A1 (0.48) | TSHRALDH1A1HPGDLMNARAB9A | |
| SCHEMBL9978463 | 0.83 | TSHR (0.48) | TSHRALDH1A1HPGDLMNAALOX12 | |
| SCHEMBL176484 | 0.82 | TSHR (0.53) | TSHRALDH1A1HPGDLMNAALOX12 | |
| SCHEMBL8089365 | 0.80 | HPGD (0.62) | TSHRALDH1A1HPGDOPRM1OPRD1 | |
| SCHEMBL10382170 | 0.78 | ABCB1 (0.46) | ALDH1A1LMNACCR6EGFR | |
| SCHEMBL11876852 | 0.77 | TSHR (0.46) | TSHRALDH1A1HPGDLMNAALOX12 | |
| SCHEMBL9474105 | 0.76 | TSHR (0.48) | TSHRALDH1A1HPGDLMNAALOX12 | |
| SCHEMBL11327615 | 0.76 | ALDH1A1 (0.62) | TSHRALDH1A1HPGDLMNAALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2576588-A1 | METHODS FOR THE SYNTHESIS OF ALKYNE-CONTAINING DICARBA BRIDGES IN PEPTIDES | Syngene Limited (AU) | 2013-04-10 | — | — | EP | disclosed |
| WO-2011146974-A1 | METHODS FOR THE SYNTHESIS OF ALKYNE-CONTAINING DICARBA BRIDGES IN PEPTIDES | MONASH UNIVERSITY (AU) | 2011-12-01 | — | — | WO | disclosed |