Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | SCN1A | P35498 | 2/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.32 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15492137 | 1.00 | CYP2C19 (0.42) | CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL13072762 | 1.00 | CYP2C19 (0.42) | CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL245950 | 0.84 | CYP2C19 (0.43) | CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL4635479 | 0.84 | CYP2C19 (0.43) | CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL245105 | 0.84 | CYP2C19 (0.43) | CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL4612566 | 0.83 | SMN1; SMN2 (0.37) | CYP2C19SMN1; SMN2ALDH1A1LMNATSHR | |
| SCHEMBL4613844 | 0.83 | SMN1; SMN2 (0.37) | CYP2C19SMN1; SMN2ALDH1A1LMNATSHR | |
| SCHEMBL4614582 | 0.83 | SMN1; SMN2 (0.37) | CYP2C19SMN1; SMN2ALDH1A1LMNATSHR | |
| SCHEMBL28089324 | 0.79 | CYP2C19 (0.44) | CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL10838992 | 0.77 | CYP2C19 (0.43) | CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1 |
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-8519159-B2 | Tri-substituted 2-benzhydryl-5-benzylamino-tetrahydro-pyran-4-OL and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-OL analogues, and novel 3,6-disubstituted pyran derivatives | WAYNE STATE UNIVERSITY (US) | 2013-08-27 | — | — | US | disclosed |