Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL28582600 | 1.00 | KDM4E (0.60) | KDM4EALDH1A1KMT2APTK2BHTT | |
| SCHEMBL31265187 | 1.00 | KDM4E (0.60) | KDM4EALDH1A1KMT2APTK2BHTT | |
| SCHEMBL22799642 | 0.98 | KDM4E (0.61) | KDM4EALDH1A1KMT2APTK2BHTT | |
| SCHEMBL22800172 | 0.94 | KDM4E (0.63) | KDM4EALDH1A1KMT2APTK2BHTT | |
| SCHEMBL3315009 | 0.89 | KDM4E (0.74) | KDM4EALDH1A1KMT2APTK2BHTT | |
| SCHEMBL8926671 | 0.87 | ALDH1A1 (0.76) | KDM4EALDH1A1KMT2APTK2BHTT | |
| SCHEMBL571511 | 0.87 | ALDH1A1 (0.76) | KDM4EALDH1A1KMT2APTK2BHTT | |
| SCHEMBL29400029 | 0.87 | ALDH1A1 (0.76) | KDM4EALDH1A1KMT2APTK2BHTT | |
| SCHEMBL28717205 | 0.86 | KDM4E (0.55) | KDM4EALDH1A1KMT2APTK2BNPSR1 | |
| SCHEMBL10448129 | 0.85 | ALDH1A1 (0.60) | KDM4EALDH1A1KMT2APTK2BHTT |
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-108191957-B | Tripeptide macrocyclic derivatives, preparation method and application thereof | 浙江大学 | 2021-05-04 | — | — | CN | disclosed |