Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 8/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.36 |
| ▸ | GSTP1 | P09211 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15618717 | 0.83 | FGFR4 (0.47) | ABL1NPC1RAB9ACASP3SENP7 | |
| SCHEMBL15618713 | 0.80 | FGFR4 (0.53) | ABL1NPC1RAB9ACASP3SENP7 | |
| SCHEMBL15618458 | 0.78 | HSD17B1 (0.54) | ABL1NPC1RAB9ACASP3SENP7 | |
| SCHEMBL17531002 | 0.74 | FGFR1 (0.57) | NPC1RAB9A | |
| SCHEMBL15618399 | 0.74 | FGFR4 (0.63) | NPC1RAB9ACASP3SENP7FGFR4 | |
| SCHEMBL30045356 | 0.73 | NPC1 (0.42) | NPC1RAB9ACASP3SENP7CYP11B1 | |
| SCHEMBL21240499 | 0.73 | NPC1 (0.42) | NPC1RAB9ACASP3SENP7CYP11B1 | |
| SCHEMBL5310227 | 0.72 | NPC1 (0.59) | ABL1NPC1RAB9ACASP3SENP7 | |
| SCHEMBL9939699 | 0.70 | ABL1 (0.71) | ABL1 | |
| SCHEMBL21726329 | 0.70 | LRRK2 (0.34) | CYP11B1CYP11B2CYP17A1ESR1ESR2 |
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-2014044846-A1 | 3-(ARYL- OR HETEROARYL-AMINO)-7-(3,5-DIMETHOXYPHENYL)ISOQUINOLINE DERIVATIVES AS FGFR INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS OR DYSPLASIA | EVOTEC (UK) LTD. (GB) | 2014-03-27 | — | — | WO | disclosed |
| WO-2014044846-A1 | 3-(ARYL- OR HETEROARYL-AMINO)-7-(3,5-DIMETHOXYPHENYL)ISOQUINOLINE DERIVATIVES AS FGFR INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS OR DYSPLASIA | EVOTEC (UK) LTD. (GB) | 2014-03-27 | — | — | WO | disclosed |