Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR2 | O15552 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 4/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2360146 | 0.85 | TEK (0.49) | — | |
| SCHEMBL27833168 | 0.81 | ALDH1A1 (0.43) | KMT2AKDM4EMEN1ALOX12RAB9A | |
| SCHEMBL19215999 | 0.80 | FFAR2 (0.38) | FFAR2MKNK1MKNK2KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL27945887 | 0.79 | ALDH1A1 (0.41) | KMT2AKDM4EMEN1ALOX12RAB9A | |
| SCHEMBL2327132 | 0.76 | WNT3A (0.47) | KMT2AMEN1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL211249 | 0.75 | RAB9A (0.55) | KMT2AKDM4ERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL13403362 | 0.75 | PTGS1 (0.41) | KMT2AKDM4EMEN1RAB9ASMN1; SMN2 | |
| SCHEMBL20271757 | 0.75 | DEGS1 (0.45) | — | |
| SCHEMBL2322411 | 0.75 | ALDH1A1 (0.50) | KMT2AKDM4EMEN1RAB9ASMN1; SMN2 | |
| SCHEMBL183711 | 0.75 | L3MBTL1 (0.55) | KMT2AKDM4EMEN1RAB9ASMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015200682-A1 | SUBSTITUTED 4-ALKOXYPICOLINAMIDE ANALOGS DS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS | VANDERBILT UNIVERSITY (US) | 2015-12-30 | — | — | WO | disclosed |
| EP-2429993-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INT (DE) | 2015-01-21 | — | — | EP | disclosed |
| US-8088793-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2012-01-03 | — | — | US | disclosed |
| WO-2010130034-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010015849-A2 | THERAPEUTIC AGENTS 414 | ASTRAZENECA AB (SE) | 2010-02-11 | — | — | WO | disclosed |