Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 7/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | AGXT | P21549 | 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 | |
|---|---|---|---|---|
| SCHEMBL6969672 | 0.83 | KDM4E (0.37) | DAOKDM4ESMN1; SMN2TRPA1MCHR1 | |
| SCHEMBL76563 | 0.82 | CRBN (0.37) | KCNA5DDB1CRBNCTSD | |
| SCHEMBL6974107 | 0.81 | KCNA5 (0.47) | KCNA5TRPA1CTSD | |
| SCHEMBL8546581 | 0.78 | KDM4E (0.33) | DAOKDM4ESMN1; SMN2TRPA1HTR2A | |
| SCHEMBL9164263 | 0.75 | PTGS2 (0.48) | KDM4ESMN1; SMN2TRPA1HTR2AHTR2C | |
| SCHEMBL28264112 | 0.75 | HTR2A (0.51) | KDM4EHTR2AHTR6 | |
| SCHEMBL6969676 | 0.74 | KDM4E (0.39) | DAOKDM4ESMN1; SMN2TRPA1HTR2A | |
| SCHEMBL24152364 | 0.72 | KDM4E (0.47) | KDM4ESMN1; SMN2TRPA1HTR2AHTR2C | |
| SCHEMBL11488461 | 0.71 | CYP2D6 (0.46) | SMN1; SMN2CTSDMEN1KMT2A | |
| SCHEMBL15358970 | 0.70 | SLC6A2 (0.37) | DAONR3C2KDM4ESMN1; SMN2DDB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | disclosed |
| US-6011028-A | Cyclic amidino agents useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 2000-01-04 | — | — | US | disclosed |
| WO-1996033175-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-10-24 | — | — | WO | disclosed |