Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 6/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 6/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | POLA1 | P09884 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9418971 | 0.69 | ALDH1A1 (0.35) | NR1H2NR1H3NOTUMALDH1A1 | |
| SCHEMBL16498934 | 0.61 | HSP90AA1 (0.33) | NR1H2NR1H3NOTUMCYP3A4MEN1 | |
| SCHEMBL12825571 | 0.61 | HSP90AA1 (0.33) | NR1H2NR1H3NOTUMCYP3A4MEN1 | |
| SCHEMBL12928712 | 0.60 | AKR1C1 (0.64) | HDAC4ALDH1A1MEN1KMT2ANPSR1 | |
| SCHEMBL8112603 | 0.58 | HDAC4 (0.62) | NOTUMHDAC4KMT2AAKR1C1 | |
| SCHEMBL2421025 | 0.57 | EPHX1 (0.33) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL29119923 | 0.57 | ALDH1A1 (0.46) | HDAC4CYP3A4CYP2D6ALDH1A1CYP2C9 | |
| SCHEMBL2569600 | 0.57 | OPRM1 (0.42) | HDAC4ALDH1A1MEN1KMT2ANPSR1 | |
| SCHEMBL2050986 | 0.57 | AKR1C1 (0.59) | HDAC4ALDH1A1MEN1KMT2ANPSR1 | |
| SCHEMBL14421361 | 0.57 | LMNA (0.46) | HDAC4CYP3A4ALDH1A1NPSR1AKR1C1 |
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-0315071-B1 | Benzocyclohepten derivatives, their preparation and utilisation for pharmaceutics | HOFFMANN LA ROCHE (CH) | 1994-07-20 | — | — | EP | disclosed |
| EP-0315071-A2 | Benzocyclohepten derivatives, their preparation and utilisation for pharmaceutics | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-10 | — | — | EP | disclosed |