Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11550107 | 0.81 | KDM4E (0.46) | KDM4EPOLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL27790009 | 0.79 | CHRM2 (0.58) | KDM4EPYCR1MEN1KMT2AHTT | |
| SCHEMBL13970811 | 0.77 | KDM4E (0.55) | KDM4EPOLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL28932094 | 0.75 | CHRM2 (0.59) | PYCR1TAAR1 | |
| SCHEMBL29349571 | 0.75 | CHRM2 (0.59) | PYCR1TAAR1 | |
| SCHEMBL28682890 | 0.72 | PYCR1 (0.66) | KDM4EPYCR1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL28682243 | 0.72 | PYCR1 (0.55) | POLBPYCR1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL29350847 | 0.72 | PYCR1 (0.55) | POLBPYCR1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL13527792 | 0.72 | PYCR1 (0.79) | PYCR1MEN1KMT2AMAOAMAOB | |
| SCHEMBL2570362 | 0.72 | TAAR1 (0.46) | KDM4EPOLBSMN1; SMN2MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113956182-B | HDAC/MAO-B dual inhibitor and preparation and application thereof | 杭州师范大学 | 2023-11-17 | — | — | CN | disclosed |
| WO-2023061101-A1 | HDAC/MAO-B DUAL INHIBITOR, PREPARATION THEREOF, AND APPLICATION THEREOF | 杭州师范大学 | 2023-04-20 | — | — | WO | disclosed |
| CN-113956182-A | HDAC/MAO-B dual inhibitor and preparation and application thereof | 杭州师范大学 | 2022-01-21 | — | — | CN | disclosed |