Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | FABP3 | P05413 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29009663 | 1.00 | PARP1 (0.38) | PARP1FABP3FABP4ROCK2MEN1 | |
| SCHEMBL30112757 | 0.95 | PARP1 (0.35) | PARP1FABP3FABP4ROCK2MEN1 | |
| SCHEMBL28959860 | 0.95 | PARP1 (0.35) | PARP1FABP3FABP4ROCK2MEN1 | |
| SCHEMBL28639455 | 0.83 | FABP3 (0.36) | FABP3FABP4ROCK2TDP1 | |
| SCHEMBL30083105 | 0.83 | FABP3 (0.36) | FABP3FABP4ROCK2TDP1 | |
| SCHEMBL30083108 | 0.81 | TDP1 (0.49) | RAB9ATDP1ALDH1A1MAPTTSHR | |
| SCHEMBL28713857 | 0.81 | LMNA (0.37) | FABP3FABP4TDP1 | |
| SCHEMBL25773295 | 0.77 | KMT2A (0.42) | ROCK2MEN1KMT2ARAB9AMETAP2 | |
| SCHEMBL2727228 | 0.75 | ROCK2 (0.49) | FABP3FABP4ROCK2METAP2MAPT | |
| SCHEMBL1753930 | 0.75 | MEN1 (0.59) | PARP1MEN1KMT2ARAB9AADORA1 |
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-107586296-B | Preparation method and application of 2, 9-diaryl substituted phenanthroline and iron complex thereof | 南开大学 | 2023-05-02 | — | — | CN | disclosed |