Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | TPMT | P51580 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 7/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL634159 | 0.87 | CES2 (0.54) | CES2CES1MAPTHPGDTSHR | |
| SCHEMBL9720617 | 0.85 | TPMT (0.54) | TPMTMAPTHPGDTSHRSMN1; SMN2 | |
| SCHEMBL12876821 | 0.82 | GSK3B (0.52) | CES2CES1TPMTHDAC3HDAC1 | |
| SCHEMBL15587366 | 0.80 | CES2 (0.41) | CES2CES1MAPTHPGDTSHR | |
| SCHEMBL22097301 | 0.79 | KMT2A (0.55) | CES2CES1TPMTHPGDTSHR | |
| SCHEMBL30512212 | 0.78 | TAS1R3 (0.43) | CES2CES1TPMTMAPTHPGD | |
| SCHEMBL12780435 | 0.78 | TAS1R3 (0.43) | CES2CES1TPMTMAPTHPGD | |
| SCHEMBL31536272 | 0.78 | TPMT (0.41) | TPMTMAPTTSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL27823432 | 0.78 | HCAR1 (0.61) | TPMTMAPTHPGDTSHRALDH1A1 | |
| SCHEMBL16953113 | 0.78 | TPMT (0.37) | CES2CES1TPMTHDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010131146-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010131147-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010131145-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |