Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | AHR | P35869 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MLYCD | O95822 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.43 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.43 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30091844 | 0.85 | NPC1 (0.57) | KMT2AAHRNPC1NR1I2LMNA | |
| SCHEMBL22640298 | 0.83 | MLYCD (0.64) | KMT2AAHRNPC1RAB9AMEN1 | |
| SCHEMBL28901074 | 0.81 | KMT2A (0.57) | KMT2AAHRNPC1NR1I2LMNA | |
| SCHEMBL28010642 | 0.80 | KMT2A (0.47) | KMT2AAHRNPC1NR1I2LMNA | |
| SCHEMBL12506316 | 0.80 | CACNA1B (0.57) | KMT2AAHRNPC1NR1I2LMNA | |
| SCHEMBL28254575 | 0.80 | KMT2A (0.56) | KMT2AAHRNPC1NR1I2LMNA | |
| SCHEMBL4887544 | 0.79 | HDAC1 (0.49) | KMT2AAHRNPC1NR1I2LMNA | |
| Hydrochloric Acid SCHEMBL28346870 | 0.79 | HDAC2 (0.44) | KMT2AAHRNPC1NR1I2LMNA | |
| SCHEMBL8349329 | 0.78 | HDAC1 (0.70) | NPC1RAB9AHDAC1HDAC3HDAC2 | |
| SCHEMBL3726558 | 0.77 | ALDH1A1 (0.53) | KMT2AAHRNPC1NR1I2LMNA |
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-111848454-B | Histone deacetylase 6 inhibitor and preparation method and application thereof | 山东大学 | 2021-05-07 | — | — | CN | disclosed |
| CN-111848454-A | Histone deacetylase 6 inhibitor and preparation method and application thereof | 山东大学 | 2020-10-30 | — | — | CN | disclosed |
| CN-110573497-A | Histone deacetylase inhibitors | 生物马林药物股份有限公司 | 2019-12-13 | — | — | CN | disclosed |