Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MGMT | P16455 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | BID | P55957 | 3/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29791278 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TDP1MGMTCYP1A2CYP2C19 | |
| SCHEMBL214271 | 0.84 | ALDH1A1 (0.45) | ALDH1A1TDP1MGMTCYP1A2CYP2C19 | |
| SCHEMBL27515202 | 0.82 | ALDH1A1 (0.58) | ALDH1A1TDP1MEN1HPGDKMT2A | |
| SCHEMBL10977025 | 0.82 | TSHR (0.51) | ALDH1A1TDP1CYP1A2CYP2C19MEN1 | |
| SCHEMBL27491325 | 0.81 | GPR35 (0.50) | BIDMCL1BCL2L1BAK1KAT8 | |
| SCHEMBL27782323 | 0.81 | ALDH1A1 (0.39) | ALDH1A1TDP1MEN1KMT2ALMNA | |
| SCHEMBL29739409 | 0.81 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP1A2CYP2C19GRIN2D | |
| SCHEMBL29467784 | 0.81 | GPR35 (0.50) | BIDMCL1BCL2L1BAK1KAT8 | |
| SCHEMBL9921944 | 0.80 | MGMT (0.37) | ALDH1A1TDP1MGMTCYP1A2CYP2C19 | |
| SCHEMBL28763090 | 0.80 | ALDH1A1 (0.36) | ALDH1A1TDP1BIDMCL1BCL2L1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106699710-B | A kind of lateral tetrafluoro substituted biphenyl and heterocyclic compound and preparation method thereof | 陕西中医药大学 | 2019-08-16 | — | — | CN | disclosed |
| CN-106699710-A | Laterally tetrafluoro-substituted dibenzoheterocyclic compound and preparation method thereof | 陕西中医药大学 | 2017-05-24 | — | — | CN | disclosed |