Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.55 |
| ▸ | HTR3B | O95264 | 1/20 | 0.55 |
| ▸ | HTR3A | P46098 | 1/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.55 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.55 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.55 |
| ▸ | FADS1 | O60427 | 3/20 | 0.54 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
| ▸ | BCR | P11274 | 1/20 | 0.48 |
| ▸ | PRKCA | P17252 | 1/20 | 0.48 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.48 |
| ▸ | TNF | P01375 | 1/20 | 0.47 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1415496 | 0.85 | ALDH1A1 (0.52) | PRKCDGRM4NPC1HPGDKMT2A | |
| SCHEMBL9045874 | 0.82 | EGFR (0.52) | TNFGRM4EGFRKDR | |
| SCHEMBL20748625 | 0.82 | KDM4E (0.56) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL1686631 | 0.82 | FADS1 (0.59) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL9410880 | 0.82 | MEN1 (0.72) | GRM4NPC1HTTKMT2AMEN1 | |
| SCHEMBL10570513 | 0.81 | KMT2A (0.62) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL12846645 | 0.80 | TRPA1 (0.44) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL24150569 | 0.78 | EGFR (0.57) | ROCK1GRM4NPC1HTTEGFR | |
| SCHEMBL2115684 | 0.77 | ABL1 (0.62) | HTR3EHTR3BHTR3AROCK1HTR3D | |
| SCHEMBL3951245 | 0.77 | HDAC6 (0.58) | HTR3EHTR3BHTR3AROCK1HTR3D |
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-2009029617-A1 | DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |
| WO-2009029617-A1 | DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |