Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 6/20 | 0.37 |
| ▸ | CTSK | P43235 | 6/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | 0.76 | PKM (0.49) | PKMKDM4ECTSSCTSKTHRB | |
| SCHEMBL6866205 | 0.74 | PKM (0.53) | PKMKDM4ECTSSCTSKTHRB | |
| SCHEMBL26179175 | 0.66 | PKM (0.42) | PKMKDM4ECTSSCTSKTHRB | |
| SCHEMBL14085304 | 0.64 | PTPN11 (0.48) | CTSSCTSKMEN1KMT2APTPN11 | |
| SCHEMBL4662942 | 0.63 | PTPRB (0.45) | PKMKDM4ECTSSCTSKTHRB | |
| SCHEMBL4240132 | 0.62 | MEN1 (0.46) | PKMKDM4ETHRBHTTALDH1A1 | |
| SCHEMBL7438905 | 0.62 | PKM (0.60) | PKMKDM4ETHRBHTTALDH1A1 | |
| SCHEMBL24145486 | 0.61 | MEN1 (0.46) | CTSSCTSKMEN1KMT2APTPN11 | |
| SCHEMBL6692466 | 0.61 | PTPN11 (0.46) | CTSSCTSKMEN1KMT2APTPN11 | |
| SCHEMBL7437833 | 0.61 | PTPN11 (0.49) | CTSSCTSKMEN1KMT2APTPN11 |
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 |