Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | EED | O75530 | 1/20 | 0.38 |
| ▸ | RBBP4 | Q09028 | 1/20 | 0.38 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.38 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.38 |
| ▸ | AEBP2 | Q6ZN18 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20164106 | 1.00 | DPP4 (0.42) | DPP4MAP3K14HDAC1HDAC2USP30 | |
| SCHEMBL19734488 | 1.00 | DPP4 (0.42) | DPP4MAP3K14HDAC1HDAC2USP30 | |
| SCHEMBL18249614 | 0.90 | MAP3K14 (0.39) | DPP4MAP3K14HDAC1HDAC2USP30 | |
| SCHEMBL18249658 | 0.88 | DPP4 (0.44) | DPP4MAP3K14HDAC1HDAC2USP30 | |
| SCHEMBL23211978 | 0.86 | HDAC1 (0.46) | DPP4HDAC1HDAC2USP30PDE4B | |
| SCHEMBL19734532 | 0.86 | DPP4 (0.42) | DPP4HDAC1HDAC2USP30MAPT | |
| SCHEMBL21384664 | 0.86 | HDAC1 (0.46) | DPP4HDAC1HDAC2USP30PDE4B | |
| SCHEMBL18249566 | 0.86 | DPP4 (0.42) | DPP4HDAC1HDAC2USP30PDE4B | |
| SCHEMBL18249668 | 0.85 | DPP4 (0.44) | DPP4MAP3K14HDAC1HDAC2USP30 | |
| SCHEMBL1529076 | 0.85 | DPP4 (0.41) | DPP4MAP3K14HDAC1HDAC2USP30 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017216280-A1 | TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-12-21 | — | — | WO | disclosed |