Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | MAOA | P21397 | 5/20 | 0.50 |
| ▸ | MAOB | P27338 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | GABRP | O00591 | 1/20 | 0.50 |
| ▸ | GABRD | O14764 | 1/20 | 0.50 |
| ▸ | IKBKB | O14920 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | CHUK | O15111 | 1/20 | 0.50 |
| ▸ | PIM1 | P11309 | 1/20 | 0.50 |
| ▸ | TOP1 | P11387 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL17298998 | 0.89 | PARP1 (0.55) | PARP1KDM4EMAOAMAOBALDH1A1 | |
| SCHEMBL15374747 | 0.89 | PARP1 (0.55) | PARP1KDM4EMAOAMAOBALDH1A1 | |
| SCHEMBL743939 | 0.89 | PARP1 (0.55) | PARP1KDM4EMAOAMAOBALDH1A1 | |
| SCHEMBL15374721 | 0.89 | PARP1 (0.55) | PARP1KDM4EMAOAMAOBALDH1A1 | |
| SCHEMBL21297781 | 0.80 | KDM4E (0.54) | PARP1KDM4EMAOAMAOBALDH1A1 | |
| SCHEMBL21297780 | 0.80 | KDM4E (0.59) | PARP1KDM4EMAOAMAOBALDH1A1 | |
| SCHEMBL16231036 | 0.77 | PARP1 (0.46) | PARP1KDM4EMAOAMAOBALDH1A1 | |
| SCHEMBL16230973 | 0.77 | PARP1 (0.46) | PARP1KDM4EMAOAMAOBALDH1A1 | |
| SCHEMBL16231012 | 0.77 | PARP1 (0.46) | PARP1KDM4EMAOAMAOBALDH1A1 | |
| SCHEMBL262425 | 0.76 | ALDH1A1 (0.59) | KDM4EMAOAALDH1A1HPGDSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020111140-A1 | FUSED RING COMPOUND, PRODUCTION METHOD THEREFOR, AND ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL | 東ソー株式会社 | 2020-06-04 | — | — | WO | disclosed |