Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL28003037 | 0.88 | ATM (0.59) | ALDH1A1KDM4EAPPATMCHRM5 | |
| SCHEMBL17844801 | 0.82 | HTT (0.52) | ALDH1A1KDM4EAPPATMCHRM5 | |
| SCHEMBL15164339 | 0.81 | PTGS1 (0.45) | ALDH1A1KDM4ETDP1HDAC1HDAC6 | |
| SCHEMBL3126685 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KDM4ETDP1HDAC1HDAC6 | |
| SCHEMBL15164338 | 0.79 | PTGS1 (0.43) | ALDH1A1KDM4ETDP1HDAC1HDAC6 | |
| SCHEMBL2734577 | 0.78 | ABL1 (0.59) | ALDH1A1KDM4ETDP1HDAC1HDAC6 | |
| SCHEMBL25236494 | 0.78 | HTR2A (0.59) | — | |
| SCHEMBL3792476 | 0.77 | MAPT (0.53) | ALDH1A1KDM4EHDAC1HDAC6ATM | |
| SCHEMBL30413844 | 0.77 | MAPT (0.53) | ALDH1A1KDM4EHDAC1HDAC6ATM | |
| SCHEMBL7848228 | 0.77 | KDM4E (0.56) | ALDH1A1KDM4ETDP1HDAC1HDAC6 |
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 |