Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 4/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | P2RY12 | Q9H244 | 3/20 | 0.38 |
| ▸ | CASP3 | P42574 | 3/20 | 0.38 |
| ▸ | PDE2A | O00408 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8121614 | 0.81 | KDM4E (0.41) | ALDH1A1KDM4EHSD17B10PDE3BPDE3A | |
| SCHEMBL8924469 | 0.74 | KDM4E (0.48) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| SCHEMBL8121612 | 0.69 | PARP1 (0.36) | ALDH1A1KDM4EHPGD | |
| SCHEMBL3404323 | 0.67 | ALDH1A1 (0.54) | ALDH1A1KDM4EHSD17B10DYRK1AMEN1 | |
| SCHEMBL3403656 | 0.66 | KMO (0.57) | ALDH1A1KDM4EDYRK1AHPGD | |
| SCHEMBL3230513 | 0.65 | L3MBTL1 (0.59) | ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL2437609 | 0.65 | PDE3B (0.35) | ALDH1A1KDM4EHSD17B10PDE3BPDE3A | |
| SCHEMBL3778172 | 0.65 | DYRK1A (0.55) | DYRK1A | |
| SCHEMBL12066304 | 0.64 | KDM4E (0.50) | ALDH1A1KDM4E | |
| SCHEMBL5712361 | 0.64 | ADORA2B (0.40) | ALDH1A1 |
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-5693637-A | Bicycle derivatives, their preparation and use | BASF AKTIENGESELLSCHAFT (DE) | 1997-12-02 | — | — | US | disclosed |