Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| Phenanthrene SCHEMBL27586708 | 1.00 | ALDH1A1 (0.60) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL27667861 | 0.88 | ALDH1A1 (0.61) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Naphthalene SCHEMBL28076935 | 0.87 | CYP2A6 (0.47) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL27757240 | 0.84 | ALDH1A1 (0.57) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL2423163 | 0.84 | KDM4E (0.43) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Naphthalene SCHEMBL8081934 | 0.84 | CYP2A6 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Naphthalene SCHEMBL27496066 | 0.84 | CYP2A6 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Triphenylene SCHEMBL27642094 | 0.84 | ALDH1A1 (0.36) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Anthracene SCHEMBL28328637 | 0.82 | NQO2 (0.40) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL27695837 | 0.80 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110526935-A | A kind of synthetic method of double boron aza-phenanthrenes and its derivative | UNIV TIANJIN TECHNOLOGY | 2019-12-03 | — | — | CN | claimed |
| CN-109232623-A | A kind of synthetic method of boron aza-phenanthrenes and its derivative | 天津理工大学 | 2019-01-18 | — | — | CN | claimed |
| CN-110396109-A | A kind of double pyrroles condense the synthetic method of boron naphthazine and its derivative | UNIV TIANJIN TECHNOLOGY | 2019-11-01 | — | — | CN | disclosed |
| CN-109232623-A | A kind of synthetic method of boron aza-phenanthrenes and its derivative | 天津理工大学 | 2019-01-18 | — | — | CN | disclosed |