Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16585172 | 0.78 | HTR2C (0.49) | TSHRCYP1A2CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL5345772 | 0.78 | KDM1A (0.47) | TSHRCYP1A2CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL16585174 | 0.78 | HTR2C (0.49) | TSHRCYP1A2CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL27403201 | 0.76 | MTNR1A (0.57) | TSHRCYP1A2CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL1223719 | 0.74 | HDAC4 (0.61) | TSHRCYP1A2CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL29451691 | 0.74 | HDAC4 (0.61) | TSHRCYP1A2CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL1223722 | 0.74 | HDAC4 (0.61) | TSHRCYP1A2CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL2504396 | 0.74 | HDAC4 (0.61) | TSHRCYP1A2CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL16585096 | 0.72 | OPRM1 (0.41) | TSHRCYP1A2CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL16585095 | 0.72 | OPRM1 (0.41) | TSHRCYP1A2CYP3A4CYP2D6HSD17B10 |
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-2699539-A2 | CYCLOPROPYL DERIVATIVES AND METHODS OF USE | Emory University (US) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012145234-A2 | CYCLOPROPYL DERIVATIVES AND METHODS OF USE | EMORY UNIVERSITY (US) | 2012-10-26 | — | — | WO | disclosed |