Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLI1 | P08151 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | BLM | P54132 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10516329 | 1.00 | GLI1 (0.41) | GLI1CYP2D6CYP1A2ALOX15CYP2C19 | |
| SCHEMBL10514511 | 1.00 | GLI1 (0.41) | GLI1CYP2D6CYP1A2ALOX15CYP2C19 | |
| SCHEMBL10516605 | 1.00 | GLI1 (0.41) | GLI1CYP2D6CYP1A2ALOX15CYP2C19 | |
| SCHEMBL2783554 | 0.97 | — | — | |
| SCHEMBL25910760 | 0.97 | — | — | |
| SCHEMBL27540244 | 0.85 | GLI1 (0.33) | GLI1CYP2D6CYP1A2ALOX15CYP2C19 | |
| SCHEMBL4415694 | 0.85 | GLI1 (0.33) | GLI1CYP2D6CYP1A2ALOX15CYP2C19 | |
| SCHEMBL3631157 | 0.78 | — | — | |
| SCHEMBL1025829 | 0.76 | — | — | |
| SCHEMBL1055495 | 0.76 | — | — |
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-4871736-A | ANTITUMOR AGENTS | THE OHIO STATE UNIVERSITY (US) | 1989-10-03 | — | — | US | disclosed |