Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | PTGES | O14684 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8193600 | 0.86 | CTSK (0.33) | CA12CA1CA7CA14PTGES | |
| SCHEMBL19465020 | 0.86 | CTSK (0.33) | CA12CA1CA7CA14PTGES | |
| SCHEMBL8193597 | 0.86 | CTSK (0.33) | CA12CA1CA7CA14PTGES | |
| SCHEMBL16808277 | 0.82 | CA12 (0.30) | CA12CA1CA7CA14PTGES | |
| SCHEMBL7038864 | 0.82 | CA12 (0.30) | CA12CA1CA7CA14PTGES | |
| SCHEMBL19460142 | 0.81 | CA12 (0.35) | CA12CA1CA7CA14PTGES | |
| SCHEMBL24669520 | 0.81 | CA1 (0.36) | CA12CA1CA7CA14PTGES | |
| SCHEMBL3216144 | 0.80 | DGAT1 (0.32) | CA12CA1CA7CA14PTGES | |
| SCHEMBL13248112 | 0.78 | CTSL (0.33) | CA12CA1CA7CA14PTGES | |
| SCHEMBL22730755 | 0.78 | CA12 (0.43) | CA12CA1CA7CA14PTGES |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022192162-A1 | NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2022-09-15 | — | — | WO | disclosed |