Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.67 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | SCN1A | P35498 | 1/20 | 0.50 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.50 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.50 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5070257 | 0.98 | HDAC1 (0.64) | HDAC1HRH3NPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL2734359 | 0.92 | HDAC1 (0.55) | HDAC1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL2651787 | 0.88 | HDAC1 (0.51) | HDAC1ALDH1A1SMN1; SMN2EPHX1LMNA | |
| SCHEMBL2659813 | 0.87 | HDAC1 (0.50) | HDAC1ALDH1A1SMN1; SMN2EPHX1LMNA | |
| SCHEMBL2659811 | 0.87 | HDAC1 (0.50) | HDAC1ALDH1A1SMN1; SMN2EPHX1LMNA | |
| SCHEMBL2652054 | 0.86 | NPC1 (0.52) | HDAC1HRH3NPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL2652091 | 0.85 | HDAC1 (0.49) | HDAC1ALDH1A1SMN1; SMN2EPHX1LMNA | |
| SCHEMBL2653241 | 0.84 | LTA4H (0.50) | HDAC1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL18172649 | 0.84 | HDAC1 (0.48) | HDAC1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL4092949 | 0.84 | ALDH1A1 (0.60) | HDAC1ALDH1A1EPHX1LMNALOXL2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3286172-B1 | LSD1 INHIBITORS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS INC (US) | 2019-06-12 | — | — | EP | disclosed |