Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PTPRB | P23467 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6875066 | 0.93 | PKM (0.49) | PKMKDM4ETHRBHTTMEN1 | |
| SCHEMBL7438905 | 0.87 | PKM (0.60) | PKMKDM4ETHRBHTTMEN1 | |
| SCHEMBL9978375 | 0.79 | PKM (0.62) | PKMKDM4ETHRBHTTMEN1 | |
| SCHEMBL8497297 | 0.75 | ATM (0.65) | PKMKDM4ETHRBHTTMEN1 | |
| SCHEMBL6866211 | 0.74 | PKM (0.37) | PKMKDM4ETHRBHTTMEN1 | |
| SCHEMBL9978460 | 0.74 | PKM (0.64) | PKMKDM4ETHRBHTTMEN1 | |
| SCHEMBL11093934 | 0.73 | PKM (0.52) | PKMKDM4ETHRBHTTMEN1 | |
| SCHEMBL14085304 | 0.71 | PTPN11 (0.48) | MEN1KMT2APTPN11TDP1GAA | |
| SCHEMBL12064248 | 0.71 | PKM (0.75) | PKMKDM4ETHRBHTTMEN1 | |
| SCHEMBL8208493 | 0.70 | PKM (0.43) | PKMKDM4ETHRBHTTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1415982-A1 | Halogenated amidino amino acid derivatives useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 2004-05-06 | — | — | EP | disclosed |
| US-6344483-B1 | Halogenated amidino amino acid deviratives useful as nitric oxide synthase inhibitors | G. D. SEARLE & CO. | 2002-02-05 | — | — | US | disclosed |
| EP-1062201-A2 | HALOGENATED AMIDINO AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 2000-12-27 | — | — | EP | disclosed |
| WO-1999046240-A2 | HALOGENATED AMIDINO AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1999-09-16 | — | — | WO | disclosed |