Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 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 |
| ▸ | TNKS2 | Q9H2K2 | 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 | |
|---|---|---|---|---|
| SCHEMBL11630230 | 0.83 | TDP1 (0.51) | HCAR2ALDH1A1CYP2D6MAPTLMNA | |
| SCHEMBL11630234 | 0.83 | TDP1 (0.51) | HCAR2ALDH1A1CYP2D6MAPTLMNA | |
| SCHEMBL27534212 | 0.81 | HCAR2 (0.69) | HCAR2ALDH1A1CYP2D6SRCKDM4E | |
| SCHEMBL28803484 | 0.81 | HCAR2 (0.69) | HCAR2ALDH1A1CYP2D6SRCKDM4E | |
| SCHEMBL7038121 | 0.81 | HCAR2 (0.55) | HCAR2ALDH1A1CYP2D6LMNA | |
| SCHEMBL8364617 | 0.80 | CYP2C19 (0.44) | HCAR2ALDH1A1CYP3A4CYP2D6SRC | |
| SCHEMBL27722749 | 0.80 | HCAR2 (0.67) | HCAR2ALDH1A1CYP2D6KDM4EMAPT | |
| SCHEMBL7086112 | 0.79 | HCAR2 (0.65) | HCAR2ALDH1A1CYP3A4CYP2D6SRC | |
| SCHEMBL7089093 | 0.79 | HCAR2 (0.65) | HCAR2ALDH1A1CYP3A4CYP2D6SRC | |
| SCHEMBL573378 | 0.79 | HCAR2 (1.00) | HCAR2ALDH1A1KDM4EMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5021413-A | Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them | SANKYO COMPANY LIMITED (JP) | 1991-06-04 | — | — | US | disclosed |