Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | APEX1 | P27695 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GPR3 | P46089 | 1/20 | 0.50 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Phenanthrene SCHEMBL27935146 | 0.95 | CYP3A4 (0.68) | HPRT1CYP3A4LMNAMAPTAPEX1 | |
| SCHEMBL20042604 | 0.84 | CYP3A4 (0.60) | HPRT1CYP3A4LMNAMAPTAPEX1 | |
| SCHEMBL3076718 | 0.84 | CYP3A4 (0.60) | HPRT1CYP3A4LMNAMAPTAPEX1 | |
| SCHEMBL31364139 | 0.83 | CYP3A4 (0.92) | HPRT1CYP3A4LMNAMAPTAPEX1 | |
| SCHEMBL18624809 | 0.83 | CYP3A4 (0.92) | HPRT1CYP3A4LMNAMAPTAPEX1 | |
| SCHEMBL30105881 | 0.83 | CYP3A4 (0.92) | HPRT1CYP3A4LMNAMAPTAPEX1 | |
| Phenanthrene SCHEMBL28062390 | 0.82 | ALDH1A1 (0.77) | HPRT1CYP3A4LMNAMAPTAPEX1 | |
| SCHEMBL10025807 | 0.80 | CYP3A4 (0.61) | HPRT1CYP3A4LMNAMAPTAPEX1 | |
| Phenanthrene SCHEMBL28090206 | 0.80 | ALDH1A1 (0.74) | HPRT1CYP3A4LMNAMAPTAPEX1 | |
| Phenazine SCHEMBL2486135 | 0.80 | MAPT (0.69) | CYP3A4MAPTALDH1A1HSD17B10TDP1 |
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-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 |