Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7975176 | 0.84 | CTSL (0.40) | CA2CA1ALDH1A1CTSLPTGDR2 | |
| SCHEMBL7222517 | 0.83 | CA12 (0.39) | CA2CA12CA1CA9CA7 | |
| SCHEMBL7974920 | 0.80 | BCL2L1 (0.39) | CA12CA9PTGDR2 | |
| SCHEMBL6756663 | 0.80 | MAPK1 (0.35) | TSHRPTGDR2 | |
| SCHEMBL7929501 | 0.79 | MCL1 (0.39) | CA12CA9PTGDR2 | |
| SCHEMBL3499284 | 0.79 | ALAD (0.35) | CA12ALOX5PTGDR2 | |
| Hydrochloric Acid SCHEMBL7922067 | 0.78 | MAPK1 (0.34) | PTGDR2 | |
| SCHEMBL7972704 | 0.78 | KMO (0.40) | CA12CA9TSHR | |
| SCHEMBL7970423 | 0.77 | HAO1 (0.35) | — | |
| SCHEMBL7931169 | 0.76 | CA12 (0.39) | CA12CA9PTGDR2 |
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-6627651-B1 | Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-30 | — | — | US | disclosed |
| EP-1182195-A1 | CYCLIC COMPOUNDS AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |