Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.49 |
| ▸ | CA2 | P00918 | 9/20 | 0.49 |
| ▸ | CA12 | O43570 | 6/20 | 0.49 |
| ▸ | CA9 | Q16790 | 6/20 | 0.49 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL15584098 | 0.92 | IDO1 (0.48) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL10705964 | 0.84 | CA1 (0.46) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL7531330 | 0.84 | NQO2 (0.48) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL27770724 | 0.83 | TDP1 (0.50) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL13622021 | 0.82 | IDO1 (0.56) | CA1CA2CA12CA9IDO1 | |
| SCHEMBL31250995 | 0.81 | NQO2 (0.56) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL1231492 | 0.81 | NQO2 (0.56) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL2061998 | 0.78 | KCNA5 (0.54) | CA1CA12NQO2IDO1MALT1 | |
| SCHEMBL22163551 | 0.78 | CA12 (0.40) | CA1CA2CA12CA9NQO2 | |
| SCHEMBL29450820 | 0.78 | CA12 (0.40) | CA1CA2CA12CA9NQO2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1208104-A2 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMACEUTICALS, INC. (US) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001016136-A2 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMACEUTICALS, INC. (US) | 2001-03-08 | — | — | WO | disclosed |