Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.43 |
| ▸ | HRH1 | P35367 | 7/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.43 |
| ▸ | HRH2 | P25021 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27432795 | 0.77 | ALDH1A1 (0.57) | HRH3TDP1MEN1ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL4554002 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL18226068 | 0.75 | — | — | |
| Tert-Butyl Formate SCHEMBL28047090 | 0.73 | USP2 (0.44) | HRH2LMNATSHRTDP1 | |
| Tert-Butyl Formate SCHEMBL28162959 | 0.72 | CYP3A4 (0.44) | SMN1; SMN2TDP1CYP1A2 | |
| SCHEMBL27766969 | 0.71 | TDP1 (0.38) | HRH3HRH4TDP1MEN1ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27599551 | 0.70 | TDP1 (0.56) | HRH3SMN1; SMN2TDP1 | |
| Tert-Butyl Formate SCHEMBL28046988 | 0.70 | TDP1 (0.42) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28825172 | 0.68 | TDP1 (0.43) | TDP1 | |
| SCHEMBL12083368 | 0.67 | PKM (0.47) | HRH3HRH1HRH4HRH2LMNA |
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-105307657-A | Heteroaryl compounds and uses thereof | CELGENE AVILOMICS RES INC | 2016-02-03 | — | — | CN | disclosed |