Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.55 |
| ▸ | PIM1 | P11309 | 1/20 | 0.51 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HTR1D | P28221 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7509771 | 0.88 | PIM1 (0.47) | EGFRPIM1PIM3IDO1PDE4B | |
| SCHEMBL31140520 | 0.84 | GPR84 (0.53) | IDO1PDE4BGPR84DYRK1AALDH1A1 | |
| SCHEMBL19717689 | 0.84 | DYRK1A (0.63) | PDE4BGPR84DYRK1AALDH1A1CYP1A2 | |
| SCHEMBL13302270 | 0.81 | GPR84 (0.58) | PIM1PIM3PDE4BGPR84DYRK1A | |
| SCHEMBL5432612 | 0.80 | GPR84 (0.66) | PDE4BGPR84ALDH1A1CYP1A2KDM4E | |
| SCHEMBL3333039 | 0.80 | MAP3K14 (0.54) | PIM1PIM3PDE4BGPR84DYRK1A | |
| SCHEMBL7513924 | 0.78 | IDO1 (0.51) | PIM1PIM3IDO1DYRK1AHTR6 | |
| SCHEMBL6586643 | 0.77 | ASH1L (0.59) | EGFRMEN1MAPTMAPK1KMT2A | |
| SCHEMBL30695578 | 0.77 | ASH1L (0.59) | EGFRMEN1MAPTMAPK1KMT2A | |
| SCHEMBL18392165 | 0.77 | PDE4B (0.55) | IDO1PDE4BGPR84ALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5693655-A | 3-indolylpiperidines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-12-02 | — | — | US | disclosed |