Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 4/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | VDR | P11473 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 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 | |
|---|---|---|---|---|
| SCHEMBL10512456 | 0.85 | L3MBTL1 (0.50) | ALDH1A1RAB9AVDRCYP2D6CYP1A2 | |
| SCHEMBL7414768 | 0.85 | PKM (0.50) | ALDH1A1RAB9AVDRCYP2D6CYP1A2 | |
| SCHEMBL1783722 | 0.84 | KMT2A (0.50) | ALDH1A1KDM4ERAB9AVDRPKM | |
| SCHEMBL26655201 | 0.82 | KDM4E (0.53) | HTR6ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL5875363 | 0.81 | VDR (0.47) | HTR6ADRB1ALDH1A1KDM4EVDR | |
| SCHEMBL26655299 | 0.80 | MEN1 (0.49) | HTR6CXCR4ALDH1A1KDM4ENPC1 | |
| SCHEMBL40765 | 0.79 | VDR (0.46) | HTR6ADRB1ALDH1A1KDM4EVDR | |
| SCHEMBL28532973 | 0.77 | SMN1; SMN2 (0.50) | ALDH1A1KDM4ERAB9AVDRCYP2D6 | |
| Tert-Butyl Formate SCHEMBL27942745 | 0.76 | ALDH1A1 (0.42) | HTR6CXCR4ALDH1A1KDM4ENPC1 | |
| SCHEMBL14538078 | 0.73 | ALDH1A1 (0.57) | HTR6CXCR4ALDH1A1KDM4ENPC1 |
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-103547575-B | Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity | 奇斯药制品公司 | 2016-08-17 | — | — | CN | disclosed |