Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | CASP6 | P55212 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6356761 | 1.00 | CA1 (0.51) | CA1CA2GPR35L3MBTL1TDP1 | |
| SCHEMBL31514657 | 0.86 | GPR35 (0.52) | CA1CA2GPR35L3MBTL1TDP1 | |
| SCHEMBL20472291 | 0.83 | GPR35 (0.52) | CA1CA2GPR35L3MBTL1TDP1 | |
| SCHEMBL25239547 | 0.83 | GPR35 (0.48) | GPR35L3MBTL1TSHRTP53HPGD | |
| SCHEMBL6363208 | 0.83 | GPR35 (0.48) | CA1CA2GPR35L3MBTL1TDP1 | |
| SCHEMBL31448639 | 0.82 | MAPK1 (0.53) | GPR35TDP1TSHRTP53HPGD | |
| SCHEMBL31448571 | 0.82 | MAPK1 (0.53) | GPR35TDP1TSHRTP53HPGD | |
| SCHEMBL12086987 | 0.81 | TDP1 (0.62) | CA1CA2GPR35L3MBTL1TDP1 | |
| SCHEMBL17368792 | 0.81 | DPP4 (0.60) | CA1CA2GPR35L3MBTL1TDP1 | |
| SCHEMBL8364702 | 0.81 | TSHR (0.53) | CA1CA2GPR35L3MBTL1TDP1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116407529-B | Pharmaceutical use of esters of 3-nitro-2, 6-dihydroxybenzoic acid right-hand or fenchyl alcohol | 南京医科大学 | 2024-05-10 | — | — | CN | claimed |
| CN-116407529-A | Pharmaceutical use of esters of 3-nitro-2, 6-dihydroxybenzoic acid right-hand or fenchyl alcohol | 南京医科大学 | 2023-07-11 | — | — | CN | claimed |
| CN-116407529-B | Pharmaceutical use of esters of 3-nitro-2, 6-dihydroxybenzoic acid right-hand or fenchyl alcohol | 南京医科大学 | 2024-05-10 | — | — | CN | disclosed |
| CN-116407529-B | Pharmaceutical use of esters of 3-nitro-2, 6-dihydroxybenzoic acid right-hand or fenchyl alcohol | 南京医科大学 | 2024-05-10 | — | — | CN | disclosed |
| CN-116407529-B | Pharmaceutical use of esters of 3-nitro-2, 6-dihydroxybenzoic acid right-hand or fenchyl alcohol | 南京医科大学 | 2024-05-10 | — | — | CN | disclosed |
| CN-116407529-A | Pharmaceutical use of esters of 3-nitro-2, 6-dihydroxybenzoic acid right-hand or fenchyl alcohol | 南京医科大学 | 2023-07-11 | — | — | CN | disclosed |
| CN-116407529-A | Pharmaceutical use of esters of 3-nitro-2, 6-dihydroxybenzoic acid right-hand or fenchyl alcohol | 南京医科大学 | 2023-07-11 | — | — | CN | disclosed |
| CN-116407529-A | Pharmaceutical use of esters of 3-nitro-2, 6-dihydroxybenzoic acid right-hand or fenchyl alcohol | 南京医科大学 | 2023-07-11 | — | — | CN | disclosed |