Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | AKT1 | P31749 | 3/20 | 0.52 |
| ▸ | PLAU | P00749 | 1/20 | 0.52 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.52 |
| ▸ | AKT2 | P31751 | 1/20 | 0.52 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.52 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.51 |
| ▸ | DPP4 | P27487 | 2/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16466269 | 1.00 | HDAC8 (0.58) | HDAC8MEN1KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL16465214 | 1.00 | HDAC8 (0.58) | HDAC8MEN1KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL9483681 | 0.92 | HDAC8 (0.56) | HDAC8MEN1KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL9483684 | 0.92 | HDAC8 (0.56) | HDAC8MEN1KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL2908042 | 0.89 | TSHR (0.63) | HDAC8MEN1KMT2ASMN1; SMN2CYP2C19 | |
| SCHEMBL30337959 | 0.89 | TSHR (0.63) | HDAC8MEN1KMT2ASMN1; SMN2CYP2C19 | |
| SCHEMBL4975367 | 0.89 | MEN1 (0.57) | MEN1KMT2ANPSR1SMN1; SMN2CYP2C19 | |
| SCHEMBL18888869 | 0.87 | MEN1 (0.54) | MEN1KMT2ANPSR1SMN1; SMN2CYP2C19 | |
| Phenylalanine SCHEMBL8912761 | 0.86 | SMN1; SMN2 (0.56) | HDAC8MEN1KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL4970964 | 0.86 | MEN1 (0.53) | MEN1KMT2ANPSR1SMN1; SMN2CYP2C19 |
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-104837821-B | Acylpiperazines as inhibitors of transglutaminase and their use in medicine | 阿斯顿大学 | 2018-11-13 | — | — | CN | disclosed |
| CN-104837821-A | Acylpiperazines as inhibitors of transglutaminase and their use in medicine | UNIV ASTON | 2015-08-12 | — | — | CN | disclosed |