Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 6/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.42 |
| ▸ | TLR2 | O60603 | 1/20 | 0.42 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.42 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL4011543 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CA1CA2TSHRKDM4E | |
| SCHEMBL736351 | 0.85 | POLB (0.50) | ALDH1A1TSHRKDM4ETDP1ERN1 | |
| SCHEMBL4898660 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TSHRKDM4ETDP1ERN1 | |
| SCHEMBL11559187 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CA1CA2TSHRKDM4E | |
| SCHEMBL11156727 | 0.82 | CA1 (0.47) | ALDH1A1CA1CA2TSHRKDM4E | |
| SCHEMBL31474876 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CA1CA2TSHRKDM4E | |
| SCHEMBL269268 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CA1CA2TSHRKDM4E | |
| SCHEMBL6202266 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TSHRKDM4ETDP1ERN1 | |
| SCHEMBL17858436 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TSHRKDM4ETDP1ERN1 | |
| SCHEMBL10658941 | 0.79 | ERN1 (0.58) | ALDH1A1ERN1TLR2TLR1TLR6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108779076-B | 5-methyl-6-phenyl-4, 5-dihydro-2H-pyridazin-3-one derivatives | 大塚制药株式会社 | 2022-05-03 | — | — | CN | disclosed |