Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL28755969 | 0.86 | THRB (0.41) | CYP3A4TSHRALDH1A1HSD17B10CA1 | |
| SCHEMBL9879148 | 0.85 | ALDH1A1 (0.50) | CYP3A4TSHRALDH1A1HSD17B10NPSR1 | |
| SCHEMBL28755966 | 0.84 | CYP3A4 (0.34) | CYP3A4TSHRALDH1A1HSD17B10CA1 | |
| SCHEMBL23218243 | 0.84 | POLB (0.47) | TSHRCA1CA2LMNAGAA | |
| SCHEMBL10697038 | 0.82 | CYP3A4 (0.50) | CYP3A4TSHRALDH1A1HSD17B10CA1 | |
| SCHEMBL28235232 | 0.81 | CYP2C19 (0.49) | CYP3A4TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL9879417 | 0.81 | ALDH1A1 (0.48) | CYP3A4TSHRALDH1A1NPSR1LMNA | |
| SCHEMBL27481393 | 0.77 | ESR1 (0.43) | CYP3A4TSHRALDH1A1HSD17B10CA1 | |
| SCHEMBL8015528 | 0.76 | TSHR (0.48) | CYP3A4TSHRALDH1A1HSD17B10LMNA | |
| SCHEMBL22383428 | 0.76 | TSHR (0.48) | CYP3A4TSHRALDH1A1HSD17B10LMNA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |