Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | PKM | P14618 | 3/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | G6PD | P11413 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MBD2 | Q9UBB5 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12841564 | 0.77 | TYMS (0.62) | MAOAPOLBALDH1A1PKMRAB9A | |
| SCHEMBL10842636 | 0.76 | POLB (0.51) | MAOAPOLBALDH1A1PKMRXFP1 | |
| SCHEMBL19321538 | 0.75 | TYMS (0.47) | MAOAPOLBALDH1A1PKMRXFP1 | |
| SCHEMBL23122861 | 0.71 | ALDH1A1 (0.67) | MAOAPOLBALDH1A1PKMRXFP1 | |
| SCHEMBL2247368 | 0.70 | ALDH1A1 (1.00) | MAOAALDH1A1PKMRXFP1RAB9A | |
| SCHEMBL2605799 | 0.68 | ALDH1A1 (0.72) | MAOAPOLBALDH1A1PKMRXFP1 | |
| SCHEMBL167524 | 0.67 | MAPK1 (0.74) | POLBALDH1A1PKMTDP1NPSR1 | |
| SCHEMBL25187033 | 0.67 | MAPK1 (0.74) | POLBALDH1A1PKMTDP1NPSR1 | |
| Methylamine SCHEMBL9267123 | 0.66 | MAPK1 (0.67) | POLBALDH1A1PKMRAB9ANPSR1 | |
| SCHEMBL28198 | 0.66 | CA1 (0.67) | POLBALDH1A1TDP1RECQLKDM4E |
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-2011035064-A2 | TRIAZOLE CATALYSTS AND METHODS OF MAKING AND USING THE SAME | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2011-03-24 | — | — | WO | disclosed |