Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL695828 | 0.83 | MAPK14 (0.40) | MAOAMAOBKDM4EMAPTHTR2A | |
| SCHEMBL694066 | 0.83 | ESR1 (0.46) | MAOAMAOBESR1ESR2CYP19A1 | |
| SCHEMBL695360 | 0.81 | F2 (0.48) | MAOAMAOBESR1ESR2CYP19A1 | |
| SCHEMBL11339598 | 0.81 | MAOA (0.44) | MAOAMAOBESR1ESR2CYP19A1 | |
| SCHEMBL31681138 | 0.81 | ESR1 (0.61) | MAOAMAOBESR1ESR2CYP19A1 | |
| SCHEMBL25035 | 0.74 | ALDH1A1 (0.61) | MAOAMAOBALDH1A1KDM4EMEN1 | |
| SCHEMBL699697 | 0.72 | ESR1 (0.65) | ESR1ESR2ALDH1A1KDM4EMEN1 | |
| SCHEMBL11330988 | 0.71 | MAOA (0.44) | MAOAMAOBALDH1A1KDM4EMEN1 | |
| SCHEMBL4276835 | 0.71 | ESR1 (0.41) | MAOAMAOBESR1ESR2CYP19A1 | |
| SCHEMBL694496 | 0.70 | ALDH1A1 (0.61) | NPSR1DYRK1AALDH1A1KDM4EMAPT |
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-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |