Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28882540 | 0.92 | KDM4E (0.45) | HDAC3HDAC1HDAC4HDAC7HDAC2 | |
| SCHEMBL28882553 | 0.85 | DRD4 (0.42) | KDM4EALDH1A1AKR1C3DRD3DRD4 | |
| SCHEMBL28352944 | 0.82 | HDAC3 (0.55) | HDAC3HDAC1HDAC4HDAC7HDAC2 | |
| SCHEMBL28352663 | 0.82 | KDM4E (0.44) | KDM4EALDH1A1AKR1C3DRD3DRD4 | |
| SCHEMBL28353184 | 0.82 | KDM4E (0.41) | HDAC3HDAC1KDM4EALDH1A1AKR1C3 | |
| SCHEMBL28352701 | 0.82 | KDM4E (0.46) | KDM4EALDH1A1AKR1C3DRD3DRD4 | |
| SCHEMBL28352871 | 0.81 | GRIN2D (0.46) | KDM4EALDH1A1AKR1C3DRD3DRD4 | |
| SCHEMBL20615447 | 0.81 | KDM4E (0.46) | HDAC3HDAC1HDAC4HDAC7HDAC2 | |
| SCHEMBL20615824 | 0.81 | KDM4E (0.46) | HDAC3HDAC1HDAC4HDAC7HDAC2 | |
| SCHEMBL28885809 | 0.81 | KDM4E (0.46) | HDAC3HDAC1HDAC4HDAC7HDAC2 |
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-110770224-B | Indole derivatives as efflux pump inhibitors | 罗格斯新泽西州立大学 | 2022-11-18 | — | — | CN | disclosed |
| CN-110770224-A | Indole derivatives as efflux pump inhibitors | 罗格斯新泽西州立大学 | 2020-02-07 | — | — | CN | disclosed |