Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL121302 | 0.87 | — | — | |
| SCHEMBL28344843 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CYP2A6HDAC8ACHETDP1 | |
| Bromide SCHEMBL28139811 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CYP2A6HDAC8ACHETDP1 | |
| SCHEMBL27596658 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CYP2A6HDAC8ACHETDP1 | |
| Hydrochloric Acid SCHEMBL28998656 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CYP2A6HDAC8ACHETDP1 | |
| SCHEMBL28074280 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CYP2A6HDAC8ACHETDP1 | |
| Bromide SCHEMBL28475302 | 0.82 | ALDH1A1 (0.48) | ALDH1A1CYP2A6HDAC8ACHELMNA | |
| SCHEMBL6752540 | 0.82 | CYP1A1 (0.48) | ALDH1A1CYP2A6ACHELMNATSHR | |
| SCHEMBL24261096 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP2A6HDAC8ACHETDP1 | |
| Phenylacetylene SCHEMBL28707962 | 0.80 | ACHE (0.58) | ALDH1A1CYP2A6HDAC8ACHELMNA |
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-106565408-B | 1,5, 9-trisubstituted coronene compound and synthesis method thereof | 上海大学 | 2019-12-06 | — | — | CN | disclosed |