Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | FADS1 | O60427 | 1/20 | 0.34 |
| ▸ | ACP3 | P15309 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8207775 | 0.86 | CYP1A2 (0.41) | CYP2A6CYP1A2CYP2C19LMNANPC1 | |
| SCHEMBL31643929 | 0.86 | CYP1A2 (0.41) | CYP2A6CYP1A2CYP2C19LMNANPC1 | |
| SCHEMBL5048148 | 0.82 | CYP2A6 (0.48) | CYP2A6CYP1A2CYP2C19CYP1B1ALDH1A1 | |
| SCHEMBL15067611 | 0.80 | CYP2A6 (0.38) | CYP2A6CYP1A2LMNACYP1B1ALDH1A1 | |
| SCHEMBL15848589 | 0.76 | HPRT1 (0.50) | CYP2A6CYP1A2KMT2ACYP2C19LMNA | |
| SCHEMBL2932475 | 0.73 | CYP2A6 (0.48) | CYP2A6CYP1A2CYP2C19LMNACYP1B1 | |
| SCHEMBL30190041 | 0.73 | CYP2A6 (0.48) | CYP2A6CYP1A2CYP2C19LMNACYP1B1 | |
| SCHEMBL1131122 | 0.73 | CYP2A6 (0.48) | CYP2A6CYP1A2CYP2C19LMNACYP1B1 | |
| SCHEMBL20829729 | 0.71 | TSHR (0.50) | CYP2A6CYP1A2GAAKMT2ALMNA | |
| SCHEMBL15848065 | 0.70 | ALDH1A1 (0.37) | CYP1A2GAAKMT2ACYP2C19LMNA |
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-5194616-A | Reacting vinylpyridine with a di- or tri-hydrocarbylphosphite in the presence of a silane, protic acid or lewis acid | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-03-16 | — | — | US | claimed |
| EP-0639199-B1 | PREPARATION OF 2-(PYRIDYL)ETHYL SUBSTITUTED PHOSPHORUS COMPOUNDS | DU PONT (US) | 1997-08-27 | — | — | EP | disclosed |
| US-5290935-A | Catalysts for increasing polyamide molecular weight | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-03-01 | — | — | US | disclosed |
| US-5258469-A | Catalysts for increasing the molecular weight of polyamides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-11-02 | — | — | US | disclosed |