Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KAT6A | Q92794 | 2/20 | 0.44 |
| ▸ | HTR6 | P50406 | 3/20 | 0.43 |
| ▸ | NAMPT | P43490 | 9/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.39 |
| ▸ | ABCC9 | O60706 | 2/20 | 0.38 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.38 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.38 |
| ▸ | KCNJ8 | Q15842 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL28226237 | 0.86 | SLC40A1 (0.46) | KAT6AHTR6NAMPTCYP3A4CYP2D6 | |
| SCHEMBL16396232 | 0.79 | HTT (0.50) | KAT6AHTR6NAMPTCYP3A4CYP2D6 | |
| SCHEMBL28226233 | 0.79 | HTR6 (0.39) | KAT6AHTR6NAMPTSLC40A1HDAC3 | |
| SCHEMBL22954096 | 0.77 | KAT6A (0.53) | KAT6AHTR6NAMPTCYP3A4CYP2D6 | |
| SCHEMBL9778961 | 0.76 | PTGES2 (0.52) | KAT6AHTR6NAMPTCYP3A4CYP2D6 | |
| SCHEMBL22545576 | 0.73 | KAT6A (0.51) | KAT6ASLC40A1HDAC3HDAC4HDAC1 | |
| SCHEMBL13729924 | 0.72 | HTR6 (0.48) | KAT6AHTR6NAMPTCYP3A4CYP2D6 | |
| SCHEMBL28167311 | 0.72 | MPI (0.49) | — | |
| SCHEMBL9779001 | 0.72 | PTGES2 (0.54) | KAT6AHTR6NAMPTSLC40A1ABCC9 | |
| Hydrochloric Acid SCHEMBL27913690 | 0.71 | KAT6A (0.50) | KAT6ANAMPTSLC40A1HDAC3HDAC4 |
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-105283443-B | Hete rocyclic derivatives and application thereof | 株式会社C&C新药研究所 | 2018-08-17 | — | — | CN | disclosed |