Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.37 |
| ▸ | PTGER2 | P43116 | 3/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6503055 | 1.00 | CA1 (0.40) | CA1CA2CA4NFKB1MIF | |
| SCHEMBL3954647 | 0.77 | PTGER3 (0.49) | CA1CA2CA4NFKB1MIF | |
| SCHEMBL8296729 | 0.75 | CA1 (0.44) | CA1CA2CA4NFKB1MIF | |
| SCHEMBL16048819 | 0.75 | CA1 (0.53) | CA1CA2CA4NFKB1MIF | |
| SCHEMBL16048816 | 0.75 | CA1 (0.53) | CA1CA2CA4NFKB1MIF | |
| SCHEMBL7455794 | 0.74 | CA1 (0.56) | CA1CA2CA4NFKB1KDM4E | |
| SCHEMBL8296698 | 0.74 | MIF (0.54) | CA1CA2CA4NFKB1MIF | |
| SCHEMBL6568835 | 0.74 | CA1 (0.43) | CA1CA2CA4NFKB1MIF | |
| SCHEMBL6561859 | 0.74 | CA1 (0.56) | CA1CA2CA4NFKB1KDM4E | |
| SCHEMBL6240290 | 0.73 | ITGB2 (0.43) | CA1CA2CA4NFKB1MIF |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005102390-A2 | COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND NMDA RECEPTOR ANTAGONISTS | PFIZER JAPAN, INC. (JP) | 2005-11-03 | — | — | WO | disclosed |
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |