Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.34 |
| ▸ | RORC | P51449 | 6/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7972072 | 0.88 | KIF11 (0.37) | KIF11CA1CA2CA9KDM4E | |
| SCHEMBL7934116 | 0.87 | CTSL (0.39) | CA12CA9ALDH1A1TSHRPOLB | |
| SCHEMBL7975083 | 0.84 | CA12 (0.39) | CA12CA2CA9KDM4EALDH1A1 | |
| SCHEMBL7934057 | 0.84 | SLC6A3 (0.40) | CA12CA9KDM4EPTGS2ALDH1A1 | |
| SCHEMBL7922057 | 0.84 | MAPT (0.42) | KDM4EALDH1A1 | |
| SCHEMBL7971878 | 0.84 | MCL1 (0.38) | CA12CA9POLB | |
| SCHEMBL7959206 | 0.84 | POLB (0.34) | CA12CA2CA9KDM4EPTGDR2 | |
| SCHEMBL7928263 | 0.84 | F10 (0.34) | PTGS2ALDH1A1POLB | |
| SCHEMBL7969353 | 0.83 | SLC6A3 (0.40) | CA12CA2CA9KDM4EPLAU | |
| SCHEMBL7934163 | 0.83 | KDM4E (0.45) | CA12CA1CA2CA9KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140896-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | Takeda Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| US-6235771-B1 | AIDS THERPAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| WO-2000037455-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-06-29 | — | — | WO | disclosed |