Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16103839 | 0.77 | OPRM1 (0.44) | TSHRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL13926744 | 0.74 | HTR4 (0.40) | TSHRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL27739489 | 0.73 | TP53 (0.46) | TSHRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL27781705 | 0.72 | HTR6 (0.43) | OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL8531640 | 0.71 | HTR2A (0.43) | TSHRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL8758822 | 0.69 | OPRM1 (0.41) | TSHRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL12717012 | 0.69 | HTR3A (0.35) | — | |
| SCHEMBL28754257 | 0.68 | CYP11B2 (0.50) | SLC6A2CYP11B1CYP11B2HTR2C | |
| SCHEMBL31055045 | 0.65 | TSHR (0.35) | TSHRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL7536800 | 0.65 | TRPV4 (0.41) | OPRM1OPRD1OPRK1OPRL1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100352820-C | Antidepressant azacyclomethyl derivatives of heterocycle-fused benzodioxans | WYETH CORP (US) | 2007-12-05 | — | — | CN | disclosed |
| CN-1701076-A | Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans | WYETH CORP (US) | 2005-11-23 | — | — | CN | disclosed |