Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28645763 | 0.88 | KMT2A (0.41) | PARP1MEN1KMT2ANPC1POLB | |
| SCHEMBL28926168 | 0.84 | MEN1 (0.39) | MEN1KMT2AHSP90AA1AKR1C3AKR1C2 | |
| SCHEMBL28639031 | 0.81 | KMT2A (0.57) | PARP1MEN1KMT2AHSP90AA1ALDH1A1 | |
| SCHEMBL30604573 | 0.80 | NR1I2 (0.42) | PARP1MEN1KMT2AAKR1C3AKR1C2 | |
| SCHEMBL28656587 | 0.80 | TSHR (0.51) | PARP1MEN1KMT2AHSP90AA1MAPT | |
| SCHEMBL28638409 | 0.80 | NR1I2 (0.42) | PARP1MEN1KMT2AAKR1C3AKR1C2 | |
| SCHEMBL28645766 | 0.80 | MEN1 (0.53) | MEN1KMT2AALDH1A1KDM4EPKM | |
| SCHEMBL30604599 | 0.80 | MEN1 (0.53) | MEN1KMT2AALDH1A1KDM4EPKM | |
| SCHEMBL28925117 | 0.80 | MEN1 (0.50) | MEN1KMT2AALDH1A1GABRA1MAPT | |
| SCHEMBL28638399 | 0.79 | IRAK4 (0.43) | MEN1KMT2AAKR1C3AKR1C2TP53 |
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 |