Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 10/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.53 |
| ▸ | USP2 | O75604 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CCR8 | P51685 | 3/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL8801451 | 0.81 | CYP2D6 (0.56) | CYP2D6CYP3A4USP2ALDH1A1KDM4E | |
| SCHEMBL11164628 | 0.76 | ALDH1A1 (0.50) | CYP2D6ALDH1A1HTTMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5425828 | 0.72 | CYP2D6 (0.77) | CYP2D6CYP3A4USP2ALDH1A1CYP1A2 | |
| SCHEMBL18070856 | 0.71 | BLM (0.61) | USP2ALDH1A1ACHE | |
| SCHEMBL9928307 | 0.70 | BLM (0.52) | CYP2D6CYP3A4USP2ALDH1A1CYP1A2 | |
| SCHEMBL8410727 | 0.69 | LOXL2 (0.43) | CYP2D6USP2ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL14188141 | 0.69 | HTT (0.55) | HTTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8409046 | 0.69 | ITGB3 (0.54) | CYP2D6USP2ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL2470869 | 0.69 | CYP2D6 (0.63) | CYP2D6CYP3A4USP2ALDH1A1CYP1A2 | |
| SCHEMBL28911185 | 0.69 | HPGD (0.53) | CYP2D6CYP3A4USP2ALDH1A1CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0745086-A4 | TRICYCLIC SPIROPIPERIDINES | MERCK & CO INC (US) | 1997-08-13 | — | — | EP | disclosed |
| EP-0745086-A1 | TRICYCLIC SPIROPIPERIDINES | MERCK & CO. INC. (US) | 1996-12-04 | — | — | EP | disclosed |
| WO-1995022548-A1 | TRICYCLIC SPIROPIPERIDINES | MERCK & CO., INC. (US) | 1995-08-24 | — | — | WO | disclosed |
| US-5439914-A | Antiarrhythmic agents; treating impaired cardiac pump funcations | MERCK & CO., INC. (US) | 1995-08-08 | — | — | US | disclosed |