Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CPN1 | P15169 | 1/20 | 0.36 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | EED | O75530 | 1/20 | 0.35 |
| ▸ | SLC6A1 | P30531 | 4/20 | 0.34 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.34 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
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 SCHEMBL27522712 | 1.00 | TDP1 (0.39) | TDP1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Tert-Butyl Formate SCHEMBL27655747 | 1.00 | TDP1 (0.39) | TDP1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Tert-Butyl Formate SCHEMBL27784291 | 0.91 | SLC6A1 (0.43) | TDP1SLC6A1SLC6A11SLC6A13GABRA5 | |
| Tert-Butyl Formate SCHEMBL27851598 | 0.91 | SLC6A1 (0.43) | TDP1SLC6A1SLC6A11SLC6A13GABRA5 | |
| Tert-Butyl Formate SCHEMBL27870144 | 0.91 | SLC6A1 (0.43) | TDP1SLC6A1SLC6A11SLC6A13GABRA5 | |
| Tert-Butyl Formate SCHEMBL28759838 | 0.89 | KMT2A (0.39) | TDP1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Tert-Butyl Formate SCHEMBL28294100 | 0.86 | TDP1 (0.41) | TDP1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Tert-Butyl Formate SCHEMBL28759827 | 0.86 | KMT2A (0.39) | TDP1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Tert-Butyl Formate SCHEMBL27919819 | 0.85 | TDP1 (0.39) | TDP1CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Tert-Butyl Formate SCHEMBL27737964 | 0.85 | TDP1 (0.39) | TDP1CHRNB2CHRNA4CHRNB4CHRNA3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105793238-A | Substituted benzamides and methods of use thereof | 基因泰克公司 | 2016-07-20 | — | — | CN | disclosed |
| CN-102209716-A | Novel compounds as cannabinoid receptor ligands | ABBOTT LAB | 2011-10-05 | — | — | CN | disclosed |
| CN-102036984-A | Novel compounds as cannabinoid receptor ligands | ABBOTT LAB | 2011-04-27 | — | — | CN | disclosed |
| CN-101506164-A | Piperidine derivatives | PFIZER PROD INC (US) | 2009-08-12 | — | — | CN | disclosed |
| CN-1863534-A | quinazoline derivatives as VEGF receptor tyrosine kinase inhibitors | ASTRAZENECA AB (SE) | 2006-11-15 | — | — | CN | disclosed |