Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HBB | P68871 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 SCHEMBL27689725 | 0.87 | KMT2A (0.42) | MEN1KMT2ATSHRMAPTSMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27751802 | 0.87 | KMT2A (0.42) | MEN1KMT2ATSHRMAPTSMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27770245 | 0.86 | RAB9A (0.38) | MEN1KMT2ATDP1MAPTNPC1 | |
| Tert-Butyl Formate SCHEMBL27621070 | 0.86 | MEN1 (0.52) | MEN1KMT2AALDH1A1CYP2D6KCNH2 | |
| Tert-Butyl Formate SCHEMBL27597018 | 0.86 | MGLL (0.40) | MEN1KMT2AALDH1A1MAPTHTT | |
| SCHEMBL24111518 | 0.82 | CHRNB2 (0.50) | MEN1KMT2ATSHRCHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL25370921 | 0.81 | CHRNB2 (0.49) | MEN1KMT2ACHRNB2CHRNB4CHRNA3 | |
| Tert-Butyl Formate SCHEMBL27890349 | 0.76 | TDP1 (0.48) | TDP1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| Tert-Butyl Formate SCHEMBL28125503 | 0.74 | TDP1 (0.46) | KMT2ATDP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL4788753 | 0.73 | CHRNB2 (0.41) | MEN1KMT2ATDP1ALDH1A1CHRNB2 |
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-104781238-A | Pyrazole carboxamide compounds, compositions and methods of use | HOFFMANN LA ROCHE | 2015-07-15 | — | — | CN | disclosed |