Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | USP2 | O75604 | 6/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2702729 | 0.87 | CHRM2 (0.59) | CYP2D6TSHRALDH1A1CYP3A4MEN1 | |
| SCHEMBL2703560 | 0.84 | SMN1; SMN2 (0.63) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL3765519 | 0.81 | MEN1 (0.64) | CYP2D6TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL2200899 | 0.81 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MEN1KMT2AHTT | |
| SCHEMBL2701101 | 0.81 | GABRD (0.51) | CYP2D6TSHRALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL8801451 | 0.81 | CYP2D6 (0.56) | CYP2D6TSHRALDH1A1USP2CYP3A4 | |
| SCHEMBL2703917 | 0.80 | CYP3A4 (0.63) | CYP2D6TSHRALDH1A1USP2CYP3A4 | |
| SCHEMBL24097945 | 0.80 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL9899355 | 0.79 | CHRM2 (0.50) | CYP2D6TSHRALDH1A1USP2CYP3A4 | |
| SCHEMBL6626906 | 0.79 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KMT2AMAPTHTT |
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 |