Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 7/20 | 0.53 |
| ▸ | RAB9A | P51151 | 7/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.53 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.53 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | TP53 | P04637 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | ELANE | P08246 | 1/20 | 0.47 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8459413 | 0.82 | CES2 (0.62) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL8454744 | 0.80 | CES2 (0.50) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL6202385 | 0.76 | CES2 (0.48) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL6203342 | 0.76 | SMN1; SMN2 (0.46) | NPC1RAB9APARP1SMN1; SMN2TP53 | |
| SCHEMBL7427631 | 0.74 | CES2 (0.67) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL5218170 | 0.74 | CES2 (0.67) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL4958740 | 0.74 | NPC1 (0.68) | CES2CES1NPC1RAB9APARP1 | |
| Methyl 3-Methoxybenzoate SCHEMBL29702092 | 0.73 | SMN1; SMN2 (0.73) | CES2CES1NPC1RAB9APARP1 | |
| Methyl 3-Methoxybenzoate SCHEMBL384913 | 0.73 | SMN1; SMN2 (0.73) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL8458316 | 0.73 | CES2 (0.43) | CES2CES1NPC1RAB9APARP1 |
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-1506175-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003097609-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2003-11-27 | — | — | WO | disclosed |