Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | MMP8 | P22894 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 7/20 | 0.46 |
| ▸ | PTPRC | P08575 | 2/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.42 |
| ▸ | PTPRB | P23467 | 2/20 | 0.42 |
| ▸ | PTPRA | P18433 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PPID | Q08752 | 1/20 | 0.40 |
| ▸ | ACP1 | P24666 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5474434 | 0.88 | PIN1 (0.53) | ALDH1A1RECQLMMP8PIN1POLB | |
| SCHEMBL4419400 | 0.88 | ALDH1A1 (0.62) | ALDH1A1RECQLMMP8PTPN1PTPRC | |
| SCHEMBL17460412 | 0.82 | ALDH1A1 (0.56) | ALDH1A1RECQLMMP8PTPN1PTPRC | |
| SCHEMBL7435532 | 0.82 | ALDH1A1 (0.59) | ALDH1A1RECQLMMP8PTPN1PTPRC | |
| SCHEMBL2822944 | 0.82 | PIN1 (0.50) | ALDH1A1RECQLMMP8PIN1POLB | |
| SCHEMBL14791153 | 0.81 | RECQL (0.52) | ALDH1A1RECQLMMP8PTPN1PIN1 | |
| SCHEMBL1522684 | 0.81 | ALDH1A1 (0.58) | ALDH1A1RECQLMMP8PTPN1PTPRC | |
| SCHEMBL27546110 | 0.81 | PIN1 (0.46) | ALDH1A1RECQLMMP8PIN1POLB | |
| SCHEMBL5916364 | 0.80 | ALDH1A1 (0.57) | ALDH1A1RECQLMMP8PTPN1PTPRC | |
| Adipic Acid SCHEMBL27846408 | 0.79 | PIN1 (0.45) | ALDH1A1RECQLMMP8PIN1POLB |
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-2004076425-A1 | IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS | CARNEGIE MELLON UNIVERSITY (US) | 2004-09-10 | — | — | WO | disclosed |