Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 SCHEMBL28790709 | 0.83 | HTR2C (0.38) | — | |
| Tert-Butyl Formate SCHEMBL28258135 | 0.72 | KDM1A (0.36) | KMT2AMEN1TSHRNPSR1PDE5A | |
| SCHEMBL1349391 | 0.71 | HDAC1 (0.46) | PKMKMT2AMEN1HDAC1HDAC8 | |
| Tert-Butyl Formate SCHEMBL28046430 | 0.68 | HTR2C (0.49) | KMT2ATSHRNPSR1 | |
| SCHEMBL1349076 | 0.65 | HDAC6 (0.45) | HDAC8HDAC6TP53MAPT | |
| SCHEMBL28790708 | 0.63 | PDE5A (0.36) | KMT2AMEN1HDAC1TSHRNPSR1 | |
| SCHEMBL22489561 | 0.62 | HTR2C (0.41) | KMT2AMEN1CYP3A4TSHRALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28018949 | 0.61 | CHRNB2 (0.41) | — | |
| Tert-Butyl Formate SCHEMBL27824904 | 0.61 | ADRB1 (0.50) | CYP3A4HTR7ALDH1A1TP53MAPT | |
| Bromobenzene SCHEMBL27491783 | 0.61 | TDP1 (0.56) | KMT2AHDAC1HDAC8HDAC6HDAC5 |
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-102056902-B | Imidazolidine derivatives | HOFFMANN LA ROCHE | 2013-08-07 | — | — | CN | disclosed |
| CN-102056902-A | Imidazolidine derivatives | HOFFMANN LA ROCHE | 2011-05-11 | — | — | CN | disclosed |