Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FOLH1 | Q04609 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA4 | P22748 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA3 | P07451 | 1/20 | 0.51 |
| ▸ | CA6 | P23280 | 1/20 | 0.51 |
| ▸ | CA5A | P35218 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6898869 | 0.81 | MTNR1A (0.49) | MTNR1A | |
| SCHEMBL21379748 | 0.80 | HPGD (0.63) | FOLH1CA2CA12CA1CA4 | |
| SCHEMBL3294364 | 0.77 | KDM4E (0.57) | FOLH1CA2CA12CA1CA4 | |
| SCHEMBL5870612 | 0.76 | CA2 (0.63) | FOLH1CA2CA12CA1CA4 | |
| SCHEMBL11934975 | 0.76 | CA2 (0.59) | FOLH1CA2CA12CA1CA4 | |
| SCHEMBL5939683 | 0.76 | FOLH1 (0.60) | FOLH1CA2CA12CA1CA4 | |
| SCHEMBL30380729 | 0.75 | HPGD (0.62) | FOLH1CA2CA12CA1CA4 | |
| SCHEMBL29646511 | 0.75 | HPGD (0.66) | CA2CA12CA1CA4CA9 | |
| SCHEMBL20495652 | 0.75 | HPGD (0.66) | CA2CA12CA1CA4CA9 | |
| SCHEMBL6682793 | 0.75 | CDYL (0.43) | MTNR1AL3MBTL1ATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1389460-A1 | CXCR4-ANTAGONISTIC DRUGS COMPRISING NITROGEN-CONTAINING COMPOUND | Kureha Chemical Industry Co., Ltd. (JP) | 2004-02-18 | — | — | EP | disclosed |