Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.69 |
| ▸ | CA2 | P00918 | 2/20 | 0.69 |
| ▸ | CA12 | O43570 | 1/20 | 0.69 |
| ▸ | CA7 | P43166 | 1/20 | 0.69 |
| ▸ | CA9 | Q16790 | 1/20 | 0.69 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.69 |
| ▸ | ERN1 | O75460 | 2/20 | 0.61 |
| ▸ | TLR2 | O60603 | 1/20 | 0.61 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.61 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.61 |
| ▸ | SRC | P12931 | 1/20 | 0.51 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.46 |
| ▸ | TFEB | P19484 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11739432 | 1.00 | CA1 (0.69) | CA1CA2CA12CA7CA9 | |
| SCHEMBL16009131 | 0.84 | ERN1 (0.59) | CA1CA2CA12CA7CA9 | |
| SCHEMBL11590731 | 0.84 | CA12 (0.67) | CA1CA2CA12CA7CA9 | |
| SCHEMBL7311111 | 0.84 | ERN1 (0.59) | CA1CA2CA12CA7CA9 | |
| 2,6-Dimethoxybenzoic Acid SCHEMBL149926 | 0.82 | CA12 (1.00) | CA1CA2CA12CA7CA9 | |
| SCHEMBL15178353 | 0.82 | AKR1C3 (0.54) | CA1CA2CA12CA7CA9 | |
| 2,6-Dimethoxybenzoic Acid SCHEMBL11457745 | 0.81 | CA12 (0.95) | CA1CA2CA12CA7CA9 | |
| 2,6-Dimethoxybenzoic Acid SCHEMBL28906099 | 0.81 | CA12 (0.95) | CA1CA2CA12CA7CA9 | |
| 2,6-Dimethoxybenzoic Acid SCHEMBL7867072 | 0.81 | CA12 (0.95) | CA1CA2CA12CA7CA9 | |
| 2,6-Dimethoxybenzoic Acid SCHEMBL28252005 | 0.81 | CA12 (0.95) | CA1CA2CA12CA7CA9 |
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 |