Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 5/20 | 0.43 |
| ▸ | CTSK | P43235 | 5/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8426691 | 1.00 | ALDH1A1 (0.48) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL8530060 | 0.91 | CTSS (0.45) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL8530056 | 0.91 | CTSS (0.45) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL8425398 | 0.88 | CYP1A2 (0.47) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL8425395 | 0.88 | CYP1A2 (0.47) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL8426686 | 0.86 | ACE (0.53) | SCN9ACTSSCTSKACECTSL | |
| SCHEMBL8426685 | 0.86 | ACE (0.53) | SCN9ACTSSCTSKACECTSL | |
| SCHEMBL8520296 | 0.84 | CYP1A2 (0.44) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL8520294 | 0.84 | CYP1A2 (0.44) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL8423298 | 0.82 | MAPT (0.46) | ALDH1A1MAPTKDM4EGAAPKM |
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 |
|---|---|---|---|---|---|---|---|
| US-5874472-A | Aminoacid derivatives as no synthase inhibitors | GLAXO WELLCOME INC. (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0705257-B1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | WELLCOME FOUND (GB) | 1998-03-11 | — | — | EP | disclosed |
| EP-0705257-A1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000505-A1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-01-05 | — | — | WO | disclosed |