Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28638166 | 0.91 | KMT2A (0.46) | LMNAMAPK1THRBMAPTTP53 | |
| SCHEMBL28925170 | 0.81 | CASP3 (0.47) | HSP90AA1MAPK1MAPTTP53ALDH1A1 | |
| SCHEMBL28639031 | 0.79 | KMT2A (0.57) | CYP3A4CYP2C9CYP2C19HSP90AA1ALDH1A1 | |
| SCHEMBL28656587 | 0.78 | TSHR (0.51) | HSP90AA1MAPTTP53MEN1KMT2A | |
| SCHEMBL30604600 | 0.78 | HSP90AA1 (0.43) | HSP90AA1MAPTTP53ALDH1A1POLB | |
| SCHEMBL28640895 | 0.78 | HSP90AA1 (0.43) | HSP90AA1MAPTTP53ALDH1A1POLB | |
| SCHEMBL28645772 | 0.78 | PARP1 (0.40) | GABRA1HSP90AA1GABRA2MAPTTP53 | |
| SCHEMBL28633459 | 0.73 | MEN1 (0.47) | LMNAMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL30604585 | 0.73 | MEN1 (0.47) | LMNAMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL28926168 | 0.73 | MEN1 (0.39) | LMNACYP1A2GABRA1CYP2C19HSP90AA1 |
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-113493438-B | Tetrahydroisoquinoline compounds | 南京再明医药有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-113493438-A | Tetrahydroisoquinoline compounds | 江苏先声药业有限公司 | 2021-10-12 | — | — | CN | disclosed |