Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 5/20 | 0.41 |
| ▸ | CTSK | P43235 | 4/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGAV | P06756 | 1/20 | 0.40 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4734738 | 0.85 | MAPT (0.59) | KLK5TACR1CTSSCTSKHDAC8 | |
| SCHEMBL8250592 | 0.84 | ITGB3 (0.47) | CTSSCTSKCTSLCTSBITGB3 | |
| SCHEMBL12193562 | 0.84 | ITGB3 (0.47) | CTSSCTSKCTSLCTSBITGB3 | |
| SCHEMBL1620166 | 0.81 | CTSS (0.50) | KLK5TACR1CTSSCTSKCTSL | |
| SCHEMBL13913373 | 0.81 | CTSS (0.50) | KLK5TACR1CTSSCTSKCTSL | |
| SCHEMBL2982541 | 0.81 | CTSS (0.50) | KLK5TACR1CTSSCTSKCTSL | |
| SCHEMBL12317089 | 0.81 | CA12 (0.44) | MAPTTDP1NPSR1ALDH1A1CA12 | |
| SCHEMBL2990961 | 0.81 | TACR1 (0.40) | KLK5TACR1CTSSCTSKHDAC8 | |
| SCHEMBL2990954 | 0.81 | TACR1 (0.40) | KLK5TACR1CTSSCTSKHDAC8 | |
| SCHEMBL4734982 | 0.80 | ITGA4 (0.49) | ITGB3ITGB1ITGAV |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008064823-A1 | BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES | UCB PHARMA, S.A. (BE) | 2008-06-05 | — | — | WO | claimed |
| WO-2008064830-A1 | BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES | UCB PHARMA, S.A. (BE) | 2008-06-05 | — | — | WO | claimed |
| WO-2008064823-A1 | BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES | UCB PHARMA, S.A. (BE) | 2008-06-05 | — | — | WO | disclosed |
| WO-2008064830-A1 | BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES | UCB PHARMA, S.A. (BE) | 2008-06-05 | — | — | WO | disclosed |