Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3638379 | 0.84 | KDM4E (0.77) | KDM4EALOX15KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL8160906 | 0.84 | ADRA2C (0.44) | KDM4EALOX15KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL8163764 | 0.82 | GRM5 (0.48) | KMT2AALDH1A1MEN1MAPK1TSHR | |
| SCHEMBL8162119 | 0.77 | GRM5 (0.68) | KDM4EKMT2AALDH1A1TSHRMAPT | |
| SCHEMBL8167707 | 0.75 | MAPK1 (0.57) | KDM4EKMT2AALDH1A1MEN1MAPK1 | |
| SCHEMBL8161908 | 0.75 | SIGMAR1 (0.46) | ALDH1A1HSD17B10TSHRUSP2GRM5 | |
| SCHEMBL8171420 | 0.74 | GRM5 (0.49) | GRM5 | |
| SCHEMBL8163323 | 0.73 | GRM5 (0.69) | KDM4EKMT2ASMN1; SMN2MEN1GAA | |
| SCHEMBL8157655 | 0.73 | GRM5 (0.44) | ALOX15KMT2ASMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL8160767 | 0.72 | GRM5 (0.52) | GRM5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008151184-A1 | BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME | VANDERBILT UNIVERSITY (US) | 2008-12-11 | — | — | WO | disclosed |