Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | ACACB | O00763 | 3/20 | 0.36 |
| ▸ | ACACA | Q13085 | 3/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7975143 | 0.89 | CA12 (0.42) | CA12CA9ACACBACACARXRA | |
| SCHEMBL7934163 | 0.89 | KDM4E (0.45) | CA12CA9ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL7934122 | 0.87 | HSP90AA1 (0.34) | CA12CA9POLBERN1TP53 | |
| SCHEMBL7934057 | 0.85 | SLC6A3 (0.40) | CA12CA9ALDH1A1KDM4EKMT2A | |
| SCHEMBL7975083 | 0.85 | CA12 (0.39) | CA12CA9ALDH1A1POLBKDM4E | |
| SCHEMBL7922057 | 0.85 | MAPT (0.42) | ALDH1A1KDM4ETP53 | |
| SCHEMBL7969027 | 0.85 | CTSL (0.41) | CA12CA9TP53 | |
| SCHEMBL7969353 | 0.84 | SLC6A3 (0.40) | CA12CA9ALDH1A1POLBKDM4E | |
| SCHEMBL7922070 | 0.83 | L3MBTL1 (0.35) | CA12CA9ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL7934116 | 0.83 | CTSL (0.39) | CA12CA9ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-6235771-B1 | AIDS THERPAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |