Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.54 |
| ▸ | CA1 | P00915 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CDC25A | P30304 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL11418971 | 1.00 | CA2 (0.54) | CA2CA1TSHRKDM4EMEN1 | |
| SCHEMBL11415397 | 0.88 | CA2 (0.60) | CA2CA1TSHRKDM4EMEN1 | |
| SCHEMBL11415394 | 0.88 | CA2 (0.60) | CA2CA1TSHRKDM4EMEN1 | |
| SCHEMBL11408885 | 0.87 | CA2 (0.54) | CA2CA1TSHRKDM4EMEN1 | |
| SCHEMBL11408882 | 0.87 | CA2 (0.54) | CA2CA1TSHRKDM4EMEN1 | |
| SCHEMBL11415296 | 0.81 | CYP1A2 (0.54) | CA2CA1TSHRKDM4EMEN1 | |
| SCHEMBL11410869 | 0.81 | CYP1A2 (0.54) | CA2CA1TSHRKDM4EMEN1 | |
| SCHEMBL11416848 | 0.81 | DHODH (0.44) | CA2CA1TSHRKDM4EMEN1 | |
| SCHEMBL11416851 | 0.81 | DHODH (0.44) | CA2CA1TSHRKDM4EMEN1 | |
| SCHEMBL8579530 | 0.79 | KDM4E (0.50) | CA2CA1TSHRKDM4EPTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4200648-A | INFLAMMATION BY ADMINISTERING A BENZYLIDENEANILINE DERIVATIVE | WILLIAM H. RORER, INC. (US) | 1980-04-29 | — | — | US | disclosed |
| US-4198349-A | ANTIINFLAMMATORY, TOPICAL | WILLIAM H. RORER, INC. (US) | 1980-04-15 | — | — | US | disclosed |