Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.65 |
| ▸ | CA1 | P00915 | 6/20 | 0.65 |
| ▸ | CA2 | P00918 | 6/20 | 0.65 |
| ▸ | CA7 | P43166 | 6/20 | 0.65 |
| ▸ | CA9 | Q16790 | 6/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.65 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.59 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.59 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3454367 | 1.00 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29853691 | 0.84 | KDM4E (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26768714 | 0.84 | KDM4E (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17133623 | 0.81 | ABL1 (0.59) | LMNAKDM4ESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL14829748 | 0.81 | KDM4E (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26643257 | 0.81 | CYP46A1 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29475502 | 0.81 | ABL1 (0.59) | LMNAKDM4ESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL29475498 | 0.81 | ABL1 (0.59) | LMNAKDM4ESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL158999 | 0.80 | CA12 (0.74) | CA12CA1CA2CA7CA9 | |
| SCHEMBL458104 | 0.80 | SLC6A4 (0.50) | CA12CA1CA2CA7CA9 |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |