Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SLC10A6 | Q3KNW5 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17089904 | 0.98 | KMT2A (0.46) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL17089909 | 0.98 | KMT2A (0.46) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL526711 | 0.85 | MEN1 (0.49) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL14973609 | 0.84 | KMT2A (0.49) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL14973611 | 0.84 | KMT2A (0.49) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL31618146 | 0.84 | KMT2A (0.46) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL17089907 | 0.82 | NR1D1 (0.42) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL10076959 | 0.79 | BDKRB1 (0.40) | KMT2AMEN1HTTPTPN1ALDH1A1 | |
| SCHEMBL13242357 | 0.77 | HTT (0.60) | KMT2AMEN1HTTPTPN1TDP1 | |
| SCHEMBL14973692 | 0.77 | ALKBH2 (0.39) | KMT2AMEN1TBXA2RHTTPTPN1 |
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 |