Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | MMP3 | P08254 | 2/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29833728 | 0.86 | CA2 (0.48) | ARPOLBGAAIKBKBKDM4E | |
| SCHEMBL8560469 | 0.86 | CA2 (0.48) | ARPOLBGAAIKBKBKDM4E | |
| SCHEMBL7700911 | 0.82 | SLC6A4 (0.62) | CYP11B1SLC6A4ARCYP11B2PDE4A | |
| SCHEMBL3421695 | 0.80 | SLC6A4 (0.60) | CYP11B1SLC6A4ARCYP11B2PDE4A | |
| SCHEMBL29024081 | 0.80 | CA2 (0.54) | ARPOLBGAAKDM4ELMNA | |
| SCHEMBL9710755 | 0.79 | CYP11B1 (0.49) | CYP11B1SLC6A4ARCYP11B2PDE4A | |
| SCHEMBL24476964 | 0.78 | KDM4E (0.55) | SLC6A4MMP3CYP11B2MMP2POLB | |
| SCHEMBL11592335 | 0.78 | CYP19A1 (0.58) | SLC6A4MMP3MMP2POLBPARP15 | |
| SCHEMBL9344917 | 0.78 | TSHR (0.52) | ARPOLBGAAKDM4ELMNA | |
| SCHEMBL7036706 | 0.77 | AR (0.43) | CYP11B1SLC6A4ARGAALMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0290591-B1 | MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS | MERCK PATENT GmbH (DE) | 1991-03-13 | — | — | EP | disclosed |
| EP-0290591-A1 | MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS. | MERCK PATENT GMBH (DE) | 1988-11-17 | — | — | EP | disclosed |
| WO-1988004305-A1 | MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-06-16 | — | — | WO | disclosed |