Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | BRAF | P15056 | 2/20 | 0.34 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2559970 | 0.86 | IDO1 (0.39) | CYP19A1CYP11B1CYP11B2ALDH1A1KDM4E | |
| SCHEMBL2562731 | 0.84 | KDM4E (0.39) | CYP19A1CYP11B1CYP11B2ALDH1A1KDM4E | |
| SCHEMBL2562733 | 0.84 | KDM4E (0.39) | CYP19A1CYP11B1CYP11B2ALDH1A1KDM4E | |
| SCHEMBL2562008 | 0.82 | CCNC (0.42) | CYP19A1CYP11B1CYP11B2CA12CA1 | |
| SCHEMBL2562005 | 0.82 | CCNC (0.42) | CYP19A1CYP11B1CYP11B2CA12CA1 | |
| SCHEMBL5022652 | 0.82 | CYP19A1 (0.47) | CYP19A1CYP11B1CYP11B2ALDH1A1KDM4E | |
| SCHEMBL2556065 | 0.81 | PDE4B (0.43) | CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL2560102 | 0.77 | ERN1 (0.43) | CYP19A1CYP11B1CYP11B2KDM4ENPSR1 | |
| SCHEMBL2556718 | 0.76 | CYP17A1 (0.39) | CYP19A1CYP11B1CYP11B2ALDH1A1KDM4E | |
| SCHEMBL2556505 | 0.74 | PDE4A (0.45) | CYP19A1CYP11B1CYP11B2KDM4CPDE10A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011132051-A2 | TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-10-27 | — | — | WO | disclosed |
| WO-2011132051-A2 | TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-10-27 | — | — | WO | disclosed |