Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.58 |
| ▸ | GPX4 | P36969 | 1/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL967638 | 0.88 | HDAC1 (0.60) | HDAC1HDAC6GPX4SIGMAR1HTR1A | |
| SCHEMBL13203903 | 0.85 | HDAC6 (0.65) | HDAC1HDAC6GPX4SIGMAR1HTR1A | |
| SCHEMBL17517486 | 0.82 | SIGMAR1 (0.68) | SIGMAR1HTR1AKDM4EGRIN2BMEN1 | |
| SCHEMBL12919976 | 0.81 | HTR1A (0.54) | HDAC1HDAC6GPX4SIGMAR1HTR1A | |
| SCHEMBL969403 | 0.80 | ALDH1A1 (0.64) | HDAC1HDAC6GPX4SIGMAR1HTR1A | |
| SCHEMBL16549475 | 0.80 | GPX4 (0.70) | HDAC1HDAC6GPX4KDM4E | |
| SCHEMBL6369610 | 0.79 | HTR1A (0.71) | SIGMAR1HTR1AKDM4EGRIN2BMEN1 | |
| SCHEMBL969099 | 0.79 | ALDH1A1 (0.69) | HDAC1HDAC6GPX4SIGMAR1HTR1A | |
| SCHEMBL967361 | 0.79 | ALDH1A1 (0.63) | HDAC1HDAC6GPX4SIGMAR1HTR1A | |
| SCHEMBL967837 | 0.79 | SIGMAR1 (0.53) | HDAC1HDAC6GPX4SIGMAR1HTR1A |
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-106167488-A | Treatment cancer and the method for non-neoplastic conditions | PTC医疗公司 | 2016-11-30 | — | — | CN | disclosed |