Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Anthracene SCHEMBL28161569 | 0.89 | KIF11 (0.41) | KIF11ALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL28118478 | 0.82 | KIF11 (0.45) | KIF11ALDH1A1HPGDSMN1; SMN2MAPT | |
| SCHEMBL28125993 | 0.80 | KIF11 (0.41) | KIF11ALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL27601817 | 0.79 | CYP1A2 (0.48) | KIF11ALDH1A1HPGDMAPTTDP1 | |
| SCHEMBL27584278 | 0.78 | CYP2A6 (0.49) | KIF11ALDH1A1HPGDMAPTTDP1 | |
| Anthracene SCHEMBL27553379 | 0.76 | HPRT1 (0.48) | KIF11ALDH1A1HPGDMAPTTDP1 | |
| SCHEMBL27288088 | 0.76 | KIF11 (0.47) | KIF11ALDH1A1HPGDMAPTCYP1A2 | |
| SCHEMBL28235927 | 0.76 | KIF11 (0.42) | KIF11ALDH1A1HPGDSMN1; SMN2MAPT | |
| Toluene SCHEMBL28075583 | 0.76 | ALDH1A1 (0.47) | KIF11ALDH1A1HPGDMAPTTDP1 | |
| Benz(B)Anthracene SCHEMBL27637885 | 0.75 | HPRT1 (0.47) | KIF11ALDH1A1HPGDMAPTTDP1 |
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-107216229-A | A kind of method of chromic salts/methyl-magnesium-bromide selective catalytic hydrogenation polycyclic aromatic hydrocarbon | 四川大学 | 2017-09-29 | — | — | CN | disclosed |