Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HRH2 | P25021 | 2/20 | 0.48 |
| ▸ | HRH1 | P35367 | 2/20 | 0.48 |
| ▸ | MLNR | O43193 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8844253 | 0.81 | HRH3 (0.60) | HRH3MEN1CYP1A2KMT2ACYP2D6 | |
| SCHEMBL14649115 | 0.79 | PRKAA2 (0.66) | MEN1CYP1A2CYP2C9TSHRKMT2A | |
| SCHEMBL14054363 | 0.75 | HRH3 (0.54) | HRH3HRH4HRH2HRH1 | |
| SCHEMBL14054365 | 0.75 | HRH3 (0.54) | HRH3HRH4HRH2HRH1 | |
| SCHEMBL11436744 | 0.75 | ATM (0.50) | CYP2C9SIGMAR1 | |
| SCHEMBL5577592 | 0.74 | TSHR (0.61) | MEN1CYP1A2CYP2C9TSHRKMT2A | |
| SCHEMBL7238995 | 0.74 | HRH3 (0.65) | HRH3MEN1KMT2ACHRM4SIGMAR1 | |
| Hydrochloric Acid SCHEMBL11490224 | 0.74 | SMN1; SMN2 (0.55) | MEN1KMT2AALDH1A1MCHR1SIGMAR1 | |
| SCHEMBL18699385 | 0.74 | HRH3 (0.54) | HRH3HRH4MEN1CYP1A2CYP2C9 | |
| SCHEMBL13727835 | 0.74 | HRH3 (0.54) | HRH3HRH4MEN1CYP1A2CYP2C9 |
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-2294063-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-03-16 | — | — | EP | disclosed |
| WO-2009150110-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-17 | — | — | WO | disclosed |