Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.62 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | JUN | P05412 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | VCP | P55072 | 1/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18173262 | 1.00 | KDM1A (0.62) | KDM1ACYP11B2CYP11B1CYP2A6NPC1 | |
| Trifluoroacetic Acid SCHEMBL18172879 | 0.86 | KDM1A (0.51) | KDM1ACYP11B2CYP11B1NPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL18172875 | 0.86 | KDM1A (0.51) | KDM1ACYP11B2CYP11B1NPC1RAB9A | |
| SCHEMBL18172874 | 0.77 | KDM1A (1.00) | KDM1ACYP2A6CYP19A1CYP2D6CYP2C9 | |
| SCHEMBL18172876 | 0.77 | KDM1A (1.00) | KDM1ACYP2A6CYP19A1CYP2D6CYP2C9 | |
| SCHEMBL18181877 | 0.77 | KDM1A (1.00) | KDM1ACYP2A6CYP19A1CYP2D6CYP2C9 | |
| SCHEMBL27802133 | 0.77 | CYP11B1 (0.57) | CYP11B2CYP11B1CYP2A6NPC1RAB9A | |
| SCHEMBL18172595 | 0.76 | MAPT (0.51) | CYP11B2CYP11B1NPC1RAB9AKDM4E | |
| SCHEMBL18172598 | 0.76 | MAPT (0.51) | CYP11B2CYP11B1NPC1RAB9AKDM4E | |
| Hydrochloric Acid SCHEMBL18172531 | 0.76 | KDM1A (0.96) | KDM1ACYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3286172-A1 | LSD1 INHIBITORS AND USES THEREOF | Constellation Pharmaceuticals, Inc. (US) | 2018-02-28 | — | — | EP | disclosed |
| WO-2016172496-A1 | LSD1 INHIBITORS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2016-10-27 | — | — | WO | disclosed |