Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SSTR4 | P31391 | 3/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.32 |
| ▸ | SSTR1 | P30872 | 2/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | ULK1 | O75385 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SFRP1 | Q8N474 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 SCHEMBL27652277 | 0.91 | TDP1 (0.39) | TDP1KMT2ACYP2D6SSTR4SSTR1 | |
| Tert-Butyl Formate SCHEMBL28125893 | 0.84 | KMT2A (0.50) | HTR2CTDP1KDM4EMAPTKMT2A | |
| Tert-Butyl Formate SCHEMBL28839934 | 0.84 | KMT2A (0.50) | HTR2CTDP1KDM4EMAPTKMT2A | |
| Tert-Butyl Formate SCHEMBL28122924 | 0.82 | SLC6A1 (0.49) | HTR2CTDP1KDM4EMAPTKMT2A | |
| Tert-Butyl Formate SCHEMBL27935424 | 0.82 | TDP1 (0.42) | HTR2CTDP1KDM4EMAPTKMT2A | |
| Tert-Butyl Formate SCHEMBL27950766 | 0.82 | TDP1 (0.42) | HTR2CTDP1KDM4EMAPTKMT2A | |
| SCHEMBL21064299 | 0.81 | — | — | |
| SCHEMBL14756734 | 0.81 | — | — | |
| Tert-Butyl Formate SCHEMBL28298094 | 0.81 | TDP1 (0.41) | HTR2CTDP1KDM4EMAPTKMT2A | |
| Tert-Butyl Formate SCHEMBL27836131 | 0.79 | TDP1 (0.39) | TDP1KDM4EMAPTKMT2AATM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108884068-A | 1- cyano-pyrolidin derivative as DUB inhibitor | 特殊治疗有限公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-105873930-A | Novel bicyclic compounds and their use as antibacterial agents and beta-lactamase inhibitors | 费多拉制药公司 | 2016-08-17 | — | — | CN | disclosed |