Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | GSR | P00390 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9879546 | 0.81 | SMN1; SMN2 (0.52) | PKMSMN1; SMN2TSHRCYP3A4NPSR1 | |
| SCHEMBL9879144 | 0.79 | PKM (0.50) | PKMSMN1; SMN2TSHRCYP3A4NPSR1 | |
| SCHEMBL4726274 | 0.78 | TBXAS1 (0.42) | SMN1; SMN2TSHRCYP2C19ALDH1A1GSR | |
| SCHEMBL17999452 | 0.75 | CYP3A4 (0.44) | SMN1; SMN2CYP3A4NPSR1CYP2C19ALDH1A1 | |
| SCHEMBL3269693 | 0.75 | CYP3A4 (0.34) | SMN1; SMN2TSHRCYP3A4NPSR1CASP1 | |
| SCHEMBL475204 | 0.72 | ALDH1A1 (0.43) | TSHRCYP3A4CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL15617420 | 0.72 | GSR (0.36) | GSRCYP2D6 | |
| SCHEMBL3024154 | 0.72 | CA12 (0.44) | TSHRCYP3A4ALDH1A1GSR | |
| SCHEMBL725647 | 0.71 | CYP3A4 (0.43) | PKMSMN1; SMN2TSHRCYP3A4NPSR1 | |
| SCHEMBL11091345 | 0.71 | SMN1; SMN2 (0.56) | PKMSMN1; SMN2TSHRCYP3A4NPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5008285-A | Antiarthritic agent with low gastric irritability side effect | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1991-04-16 | — | — | US | disclosed |
| EP-0159684-B1 | (6,11-DIHYDRO-11-OXODIBENZ(B,E)OXEPINYL)PENTANOIC ACIDS AND DERIVATIVES, A PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-09-27 | — | — | EP | disclosed |
| EP-0159684-A2 | (6,11-Dihydro-11-oxodibenz(b,e)oxepinyl)pentanoic acids and derivatives, a process and intermediates for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1985-10-30 | — | — | EP | disclosed |