Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | UGCG | Q16739 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30604573 | 1.00 | NR1I2 (0.42) | NR1I2UGCGAKR1C3AKR1C2TP53 | |
| SCHEMBL28638558 | 0.92 | NR1I2 (0.41) | NR1I2UGCGAKR1C3AKR1C2TP53 | |
| SCHEMBL30604562 | 0.92 | NR1I2 (0.41) | NR1I2UGCGAKR1C3AKR1C2TP53 | |
| SCHEMBL28638399 | 0.89 | IRAK4 (0.43) | NR1I2UGCGAKR1C3AKR1C2TP53 | |
| SCHEMBL28645369 | 0.89 | PARP1 (0.44) | NR1I2UGCGAKR1C3AKR1C2TP53 | |
| SCHEMBL30604560 | 0.89 | IRAK4 (0.43) | NR1I2UGCGAKR1C3AKR1C2TP53 | |
| SCHEMBL30604610 | 0.87 | HPGD (0.45) | NR1I2UGCGTP53LMNAMEN1 | |
| SCHEMBL28639020 | 0.87 | HPGD (0.45) | NR1I2UGCGTP53LMNAMEN1 | |
| SCHEMBL28926168 | 0.80 | MEN1 (0.39) | AKR1C3AKR1C2TP53LMNAMEN1 | |
| SCHEMBL28645772 | 0.80 | PARP1 (0.40) | AKR1C3AKR1C2TP53MEN1KMT2A |
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 |