Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27772028 | 0.86 | KDM4E (0.40) | AKR1C3AKR1C2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL5879216 | 0.85 | CYP2C19 (0.60) | AKR1C3AKR1C2ALDH1A1LMNAHTT | |
| SCHEMBL5879212 | 0.85 | CYP2C19 (0.60) | AKR1C3AKR1C2ALDH1A1LMNAHTT | |
| SCHEMBL624052 | 0.85 | CYP2C19 (0.60) | AKR1C3AKR1C2ALDH1A1LMNAHTT | |
| SCHEMBL31066534 | 0.84 | AKR1C3 (0.43) | AKR1C3AKR1C2ALDH1A1LMNAHTT | |
| SCHEMBL31066583 | 0.84 | AKR1C3 (0.43) | AKR1C3AKR1C2ALDH1A1LMNAHTT | |
| SCHEMBL31066496 | 0.84 | AKR1C3 (0.43) | AKR1C3AKR1C2ALDH1A1LMNAHTT | |
| SCHEMBL8581076 | 0.82 | CYP2C19 (0.42) | AKR1C3AKR1C2LMNACYP2C19TSHR | |
| SCHEMBL3996117 | 0.82 | TRPV4 (0.38) | AKR1C3AKR1C2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL297013 | 0.81 | SLC6A3 (0.50) | ALDH1A1LMNAHTTSMN1; SMN2TSHR |
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-2200982-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009033995-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-03-19 | — | — | WO | disclosed |