Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SLC10A6 | Q3KNW5 | 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 | |
|---|---|---|---|---|
| SCHEMBL17089909 | 1.00 | KMT2A (0.46) | KMT2AMEN1PTPN1CA1CA2 | |
| SCHEMBL17089905 | 0.98 | CA1 (0.45) | KMT2AMEN1PTPN1CA1CA2 | |
| SCHEMBL31618146 | 0.86 | KMT2A (0.46) | KMT2AMEN1PTPN1CA1CA2 | |
| SCHEMBL526711 | 0.83 | MEN1 (0.49) | KMT2AMEN1PTPN1CA1CA2 | |
| SCHEMBL17089907 | 0.82 | NR1D1 (0.42) | KMT2AMEN1PTPN1CA1CA2 | |
| SCHEMBL14973609 | 0.81 | KMT2A (0.49) | KMT2AMEN1PTPN1CA1CA2 | |
| SCHEMBL14973611 | 0.81 | KMT2A (0.49) | KMT2AMEN1PTPN1CA1CA2 | |
| SCHEMBL29719600 | 0.78 | KMT2A (0.50) | KMT2AMEN1PTPN1CA1CA2 | |
| SCHEMBL29238388 | 0.78 | KMT2A (0.56) | KMT2AMEN1PTPN1CA1CA2 | |
| SCHEMBL968214 | 0.77 | VCAM1 (0.54) | KMT2AMEN1PTPN1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9139615-B2 | High-affinity, dimeric inhibitors of PSD-95 as efficient neuroprotectants against ischemic brain damage and for treatment of pain | UNIVERSITY OF COPENHAGEN (DK) | 2015-09-22 | — | — | US | disclosed |