Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 5/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.39 |
| ▸ | AHR | P35869 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | METAP1 | P53582 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3467018 | 0.78 | AHR (0.45) | PDE3BPDE3AAHRHTTNOTUM | |
| SCHEMBL56649 | 0.71 | NOS3 (0.52) | PDE3BPDE3ASRD5A1CYP1A2CYP19A1 | |
| SCHEMBL2582425 | 0.71 | AHR (0.43) | PDE3BPDE3AAHRHTR2AHTR2C | |
| SCHEMBL1090618 | 0.69 | HTR2A (0.41) | PDE3BPDE3ASRD5A1SRD5A2AHR | |
| SCHEMBL2601324 | 0.67 | METAP1 (0.60) | SRD5A1SRD5A2AHRTYMSMETAP1 | |
| SCHEMBL29699585 | 0.67 | HTR2A (0.38) | PDE3BPDE3ASRD5A1SRD5A2AHR | |
| SCHEMBL208742 | 0.67 | ACHE (0.41) | PDE3BPDE3AHTR2AHTR2CHTR2B | |
| SCHEMBL20896958 | 0.67 | HTR2A (0.38) | PDE3BPDE3ASRD5A1SRD5A2AHR | |
| SCHEMBL9429824 | 0.67 | SIGMAR1 (0.42) | PDE3BPDE3ACYP1A2CYP19A1CYP11B1 | |
| SCHEMBL15962624 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6670373-B1 | Inhibiting resistant neoplasms where the resistance is conferred by multidrug resistance protein; N-3,4,5-trimethoxyphenyl-3-(3-azidomethyl-isoxazolo(4,5-c) -1,2-dihydro-6-chloro-quinolin-2-on-1-yl)phenylacetamide | ELI LILLY AND COMPANY | 2003-12-30 | — | — | US | disclosed |
| EP-0077983-B1 | TRIAZINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1987-04-29 | — | — | EP | disclosed |
| US-4616014-A | HYPOTENSIVE AGENTS, ANTICOAGULANTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-10-07 | — | — | US | disclosed |
| EP-0077983-A1 | Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1983-05-04 | — | — | EP | disclosed |