Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
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 SCHEMBL42657 | 0.86 | ALDH1A1 (0.56) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 | |
| Triphenylene SCHEMBL21360057 | 0.86 | MAOA (0.59) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 | |
| Fluorene SCHEMBL28532640 | 0.84 | ALDH1A1 (0.59) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 | |
| Anthracene SCHEMBL20549190 | 0.84 | ALDH1A1 (0.54) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 | |
| Benz(B)Anthracene SCHEMBL29144751 | 0.84 | ALDH1A1 (0.54) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 | |
| Fluorene SCHEMBL4852000 | 0.84 | ALDH1A1 (0.55) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 | |
| Triphenylene SCHEMBL4591073 | 0.84 | MAOA (0.56) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL29736722 | 0.83 | NPC1 (0.53) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 | |
| Phenanthrene SCHEMBL21219119 | 0.82 | TSHR (0.57) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 | |
| Fluorene SCHEMBL28443999 | 0.81 | MAOA (0.59) | KDM4ENPC1MAPTRAB9ASMN1; SMN2 |
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-109696493-A | A kind of method of 16 kinds of polycyclic aromatic hydrocarbons in detection flavouring essence for tobacco | 云南中烟工业有限责任公司 | 2019-04-30 | — | — | CN | disclosed |