Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | SLC6A1 | P30531 | 4/20 | 0.33 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.33 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
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 SCHEMBL28125893 | 1.00 | KMT2A (0.50) | KMT2ACYP2D6KDM4EMAPTATM | |
| Tert-Butyl Formate SCHEMBL28824424 | 0.91 | KDM4E (0.65) | KMT2ACYP2D6KDM4EMAPTATM | |
| Tert-Butyl Formate SCHEMBL28035538 | 0.90 | TDP1 (0.43) | KMT2ACYP2D6KDM4EMAPTATM | |
| Tert-Butyl Formate SCHEMBL28125503 | 0.87 | TDP1 (0.46) | KMT2ACYP2D6KDM4EMAPTATM | |
| Tert-Butyl Formate SCHEMBL27836131 | 0.86 | TDP1 (0.39) | KMT2ACYP2D6KDM4EMAPTATM | |
| Tert-Butyl Formate SCHEMBL28122924 | 0.86 | SLC6A1 (0.49) | KMT2ACYP2D6KDM4EMAPTATM | |
| Tert-Butyl Formate SCHEMBL27950766 | 0.86 | TDP1 (0.42) | KMT2ACYP2D6KDM4EMAPTATM | |
| Tert-Butyl Formate SCHEMBL27935424 | 0.86 | TDP1 (0.42) | KMT2ACYP2D6KDM4EMAPTATM | |
| Tert-Butyl Formate SCHEMBL28298094 | 0.84 | TDP1 (0.41) | KMT2ACYP2D6KDM4EMAPTATM | |
| Tert-Butyl Formate SCHEMBL28092073 | 0.84 | HTR2C (0.38) | KMT2ACYP2D6KDM4EMAPTATM |
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-106414448-A | Novel compounds useful as s100-inhibitors | 活跃生物技术有限公司 | 2017-02-15 | — | — | CN | disclosed |