Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR6 | O00574 | 4/20 | 0.53 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18924911 | 0.91 | SIGMAR1 (0.59) | CXCR6CXCR4KDM4ESIGMAR1TSHR | |
| SCHEMBL24162998 | 0.79 | KDM4E (0.53) | KDM4ETSHRALDH1A1MEN1KMT2A | |
| SCHEMBL6889532 | 0.77 | CXCR6 (0.57) | CXCR6CXCR4SIGMAR1 | |
| SCHEMBL15425876 | 0.73 | KMT2A (0.54) | SIGMAR1ALDH1A1KMT2A | |
| SCHEMBL15425872 | 0.73 | KMT2A (0.54) | SIGMAR1ALDH1A1KMT2A | |
| SCHEMBL12463216 | 0.71 | OPRK1 (0.45) | CXCR6CXCR4SIGMAR1ALDH1A1MEN1 | |
| SCHEMBL18924952 | 0.71 | OPRK1 (0.54) | CXCR6ALDH1A1 | |
| SCHEMBL9832407 | 0.69 | KDM4E (0.81) | KDM4ETSHRALDH1A1MEN1KMT2A | |
| SCHEMBL16884170 | 0.68 | POLB (0.82) | KDM4ETSHRALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10334149 | 0.67 | KDM4E (0.75) | KDM4ETSHRALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-9670198-B2 | Nicotinic acetylcholine receptor modulators | ASTRAEA THERAPEUTICS, LLC (US) | 2017-06-06 | — | — | US | disclosed |