Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL27805984 | 0.83 | CYP2A6 (0.40) | ALDH1A1CYP2A6F12PLAUNCF1 | |
| Phenazine SCHEMBL27734838 | 0.79 | MAPT (0.50) | LMNAMAPTALDH1A1HSD17B10TDP1 | |
| Anthracene SCHEMBL5477184 | 0.79 | ALDH1A1 (0.37) | CYP3A4MAPTALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL5478942 | 0.79 | ALDH1A1 (0.41) | CYP3A4LMNAMAPK1MAPTAPEX1 | |
| Pyrene SCHEMBL28216865 | 0.78 | ALDH1A1 (0.48) | CYP3A4LMNAMAPK1MAPTPMP22 | |
| Phenanthridine SCHEMBL27799256 | 0.78 | KDM4E (0.65) | CYP3A4LMNAMAPK1MAPTAPEX1 | |
| Chrysene SCHEMBL27115 | 0.73 | HPRT1 (1.00) | HPRT1CYP3A4LMNAMAPK1MAPT | |
| SCHEMBL31177955 | 0.73 | HPRT1 (1.00) | HPRT1CYP3A4LMNAMAPK1MAPT | |
| Chrysene SCHEMBL9786466 | 0.73 | HPRT1 (1.00) | HPRT1CYP3A4LMNAMAPK1MAPT | |
| SCHEMBL25510 | 0.73 | HPRT1 (1.00) | HPRT1CYP3A4LMNAMAPK1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114031564-A | 13, 14-picene quinoxaline and 13, 14-picene diazole derivatives and preparation method thereof | 华东师范大学 | 2022-02-11 | — | — | CN | claimed |
| CN-114031564-A | 13, 14-picene quinoxaline and 13, 14-picene diazole derivatives and preparation method thereof | 华东师范大学 | 2022-02-11 | — | — | CN | disclosed |
| CN-114031564-A | 13, 14-picene quinoxaline and 13, 14-picene diazole derivatives and preparation method thereof | 华东师范大学 | 2022-02-11 | — | — | CN | disclosed |