Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.45 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL25773900 | 0.81 | CYP2A6 (0.58) | CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL25005275 | 0.81 | CYP2A6 (0.58) | CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL23993638 | 0.81 | CYP2A6 (0.58) | CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL15465678 | 0.78 | CYP11B2 (0.58) | CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL17721312 | 0.78 | CYP11B2 (0.58) | CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL15465680 | 0.78 | CYP11B2 (0.58) | CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL24781634 | 0.75 | CYP2A6 (0.46) | CYP2A6CHRNB2CHRNA4CHRNA7CYP2C19 | |
| SCHEMBL19368261 | 0.75 | CYP2A6 (0.46) | CYP2A6CHRNB2CHRNA4CHRNA7ALDH1A1 | |
| SCHEMBL19368180 | 0.75 | CYP2A6 (0.46) | CYP2A6CHRNB2CHRNA4CHRNA7ALDH1A1 | |
| SCHEMBL13681429 | 0.75 | CYP2A6 (0.53) | CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7 |
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-1572653-A1 | SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS | Grünenthal GmbH (DE) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004063161-A1 | SATURATED AND UNSATURATED HETEROARYLCYCLOALKYLMETHYL AMINES AS ANTI-DEPRESSANTS | Grünenthal GmbH (DE) | 2004-07-29 | — | — | WO | disclosed |