Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8720669 | 0.79 | HTT (0.44) | KMT2AMEN1ALDH1A1HTTESR1 | |
| SCHEMBL8720514 | 0.77 | LMNA (0.37) | KMT2AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8720537 | 0.73 | CTSK (0.43) | ALDH1A1HPGDSMN1; SMN2MAPTCTSK | |
| SCHEMBL8720532 | 0.73 | POLB (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL8693852 | 0.69 | P2RX3 (0.40) | GRM5P2RX3 | |
| SCHEMBL8723614 | 0.69 | LOX (0.41) | GRM5MAPT | |
| SCHEMBL20554146 | 0.68 | L3MBTL1 (0.39) | KMT2AALDH1A1HPGDGRM5CYP1A2 | |
| SCHEMBL30132577 | 0.68 | L3MBTL1 (0.39) | KMT2AALDH1A1HPGDGRM5CYP1A2 | |
| SCHEMBL8721109 | 0.67 | F2 (0.44) | GRM5CYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL2228524 | 0.66 | CTSK (0.50) | KMT2AMEN1ALDH1A1HPGDCYP1A2 |
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-0700391-B1 | HERBICIDAL COMPOUNDS | SHELL INT RESEARCH (NL) | 1998-10-21 | — | — | EP | disclosed |
| US-5759956-A | PYRAZINE CARBOXAMIDE DERIVATIVES | AMERICAN CYANAMID COMPANY (US) | 1998-06-02 | — | — | US | disclosed |
| EP-0700391-A1 | HERBICIDAL COMPOUNDS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1996-03-13 | — | — | EP | disclosed |
| WO-1994027974-A1 | HERBICIDAL COMPOUNDS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1994-12-08 | — | — | WO | disclosed |