Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | ACACB | O00763 | 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 | |
|---|---|---|---|---|
| SCHEMBL4679515 | 0.84 | MEN1 (0.45) | IDO1 | |
| SCHEMBL4679517 | 0.84 | MEN1 (0.45) | IDO1 | |
| SCHEMBL13325143 | 0.83 | IDO1 (0.53) | IDO1CA2 | |
| SCHEMBL19494294 | 0.83 | IDO1 (0.53) | IDO1CA2 | |
| SCHEMBL4886448 | 0.81 | EPHX2 (0.49) | EPHX2 | |
| SCHEMBL17731575 | 0.81 | ALDH1A1 (0.50) | TDP1EPHX2 | |
| SCHEMBL4886444 | 0.81 | EPHX2 (0.49) | EPHX2 | |
| SCHEMBL17731576 | 0.81 | ALDH1A1 (0.50) | TDP1EPHX2 | |
| SCHEMBL4685969 | 0.81 | HTT (0.43) | — | |
| SCHEMBL4685972 | 0.81 | HTT (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0431943-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | disclosed |
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |