Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 10/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9549388 | 1.00 | CYP2C9 (0.40) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9548965 | 0.99 | SPHK1 (0.40) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9548970 | 0.99 | SPHK1 (0.40) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9548999 | 0.96 | CYP2C9 (0.43) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9548992 | 0.96 | CYP2C9 (0.43) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9549046 | 0.95 | SPHK1 (0.43) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9549054 | 0.95 | SPHK1 (0.43) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9549052 | 0.92 | CYP2C9 (0.40) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9549056 | 0.92 | CYP2C9 (0.40) | CYP2C9MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9549292 | 0.91 | SPHK1 (0.40) | CYP2C9MEN1KMT2AMAPTALDH1A1 |
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-5188759-A | HALOACETYLENE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-02-23 | — | — | US | disclosed |