Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.47 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL969557 | 1.00 | KDM4E (0.49) | KDM4EHTR2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL636430 | 1.00 | KDM4E (0.49) | KDM4EHTR2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5508508 | 0.91 | CHRM3 (0.46) | KDM4EHTR2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27689759 | 0.91 | CHRM3 (0.46) | KDM4EHTR2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5508506 | 0.91 | CHRM3 (0.46) | KDM4EHTR2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4566750 | 0.90 | HTR2A (0.55) | KDM4EHTR2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29199679 | 0.86 | KDM4E (0.43) | KDM4EHTR2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21848128 | 0.86 | TDP1 (0.43) | KDM4EHTR2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21848129 | 0.86 | TDP1 (0.43) | KDM4EHTR2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL25260542 | 0.84 | FAAH (0.44) | — |
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-2419405-A1 | 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS | Theravance, Inc. (US) | 2012-02-22 | — | — | EP | disclosed |
| WO-2010120910-A1 | 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS | THERAVANCE, INC. (US) | 2010-10-21 | — | — | WO | disclosed |