Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.38 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.38 |
| ▸ | GRM6 | O15303 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | DPYD | Q12882 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL43356 | 0.73 | GPR35 (0.38) | MAPTGRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL29024294 | 0.72 | VCAM1 (0.43) | VCAM1MAPTPOLBHPGDALDH1A1 | |
| SCHEMBL3188249 | 0.71 | VCAM1 (0.40) | DPP4VCAM1MAPTGRIA1GRIA2 | |
| SCHEMBL28116330 | 0.69 | — | — | |
| SCHEMBL11561961 | 0.69 | — | — | |
| SCHEMBL9324324 | 0.69 | — | — | |
| SCHEMBL319993 | 0.69 | — | — | |
| SCHEMBL18976164 | 0.69 | — | — | |
| SCHEMBL11607215 | 0.69 | MMP2 (0.39) | DPP4VCAM1MAPTCYP1A2POLB | |
| Hydrochloric Acid SCHEMBL29060489 | 0.68 | MAPT (0.33) | MAPTHTTKMT2AMEN1LMNA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4145554-A | BACTERICIDES, MICROBIOCIDES, HERBICIDES, PARASITICDES | ELI LILLY AND COMPANY (US) | 1979-03-20 | — | — | US | claimed |
| CN-108610291-A | A kind of preparation method of 3,4- binitropyrazoles | 中北大学 | 2018-10-02 | — | — | CN | disclosed |
| CN-102250007-A | Preparation method of 3,4-binitropyrazole | UNIV NORTH CHINA | 2011-11-23 | — | — | CN | disclosed |
| US-4235995-A | BACTERIOCIDES, PARASITICIDES, HERBICIDES | ELI LILLY AND COMPANY (US) | 1980-11-25 | — | — | US | disclosed |
| US-4235995-A | BACTERIOCIDES, PARASITICIDES, HERBICIDES | ELI LILLY AND COMPANY (US) | 1980-11-25 | — | — | US | disclosed |
| US-4172136-A | FOR URINARY TRACT INFECTIONS | BOEHRINGER MANNHEIM GMBH (DE) | 1979-10-23 | — | — | US | disclosed |
| US-4145554-A | BACTERICIDES, MICROBIOCIDES, HERBICIDES, PARASITICDES | ELI LILLY AND COMPANY (US) | 1979-03-20 | — | — | US | disclosed |
| US-4145554-A | BACTERICIDES, MICROBIOCIDES, HERBICIDES, PARASITICDES | ELI LILLY AND COMPANY (US) | 1979-03-20 | — | — | US | disclosed |
| US-4105772-A | FOR URINARY TRACT INFECTIONS, BACTERICIDES | BOEHRINGER MANNHEIM GMBH (DE) | 1978-08-08 | — | — | US | disclosed |
| US-4066776-A | Anti-bacterial compositions containing certain 3-nitropyrazoles | ELI LILLY AND COMPANY (US) | 1978-01-03 | — | — | US | disclosed |
| US-4066776-A | Anti-bacterial compositions containing certain 3-nitropyrazoles | ELI LILLY AND COMPANY (US) | 1978-01-03 | — | — | US | disclosed |