Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL31406174 | 0.87 | CES2 (0.69) | CES2NPSR1SRD5A2LMNAP2RX1 | |
| SCHEMBL9200320 | 0.87 | CES2 (0.69) | CES2NPSR1SRD5A2LMNAP2RX1 | |
| SCHEMBL11802784 | 0.85 | CES2 (0.67) | CES2NPSR1SRD5A2LMNAP2RX1 | |
| SCHEMBL6965684 | 0.84 | CES2 (0.65) | CES2NPSR1SRD5A2LMNAP2RX1 | |
| SCHEMBL40351 | 0.84 | CES2 (0.65) | CES2NPSR1SRD5A2LMNAP2RX1 | |
| SCHEMBL17760574 | 0.84 | CES2 (0.65) | CES2NPSR1SRD5A2LMNAP2RX1 | |
| SCHEMBL31355711 | 0.84 | CES2 (0.65) | CES2NPSR1SRD5A2LMNAP2RX1 | |
| SCHEMBL3646450 | 0.84 | CES2 (0.65) | CES2NPSR1SRD5A2LMNAP2RX1 | |
| Ethane SCHEMBL27386119 | 0.82 | CES2 (0.62) | CES2NPSR1SRD5A2LMNAP2RX1 | |
| SCHEMBL9200329 | 0.82 | CES2 (0.62) | CES2NPSR1SRD5A2LMNAP2RX1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3551633-A1 | SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | Leo Pharma A/S (DK) | 2019-10-16 | — | — | EP | claimed |
| WO-2018108230-A1 | SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2018-06-21 | — | — | WO | claimed |
| CN-102056883-B | Process for the preparation of halogenated benzoic acid derivatives | HOFFMANN LA ROCHE | 2014-11-12 | — | — | CN | disclosed |
| CN-102459227-B | 4-azetidinyl-1-phenyl-cyclohexane antagonists of ccr2 | JANSSEN PHARMACEUTICA NV | 2014-08-20 | — | — | CN | disclosed |
| CN-103502242-A | Isoindolinone derivatives | HOFFMANN LA ROCHE | 2014-01-08 | — | — | CN | disclosed |
| CN-102459203-A | Compositions and methods for modulating retinol binding to retinol binding protein 4(RBP4) | IRM LLC | 2012-05-16 | — | — | CN | disclosed |