Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 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 | |
|---|---|---|---|---|
| SCHEMBL1907356 | 0.98 | CHRNB2 (0.42) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL28869330 | 0.89 | CYP1A2 (0.40) | CHRNB2CHRNA7CHRNA4CYP1A2HTT | |
| SCHEMBL9488981 | 0.87 | CYP1A2 (0.38) | CHRNB2CHRNA7CHRNA4CYP1A2HTT | |
| SCHEMBL11070667 | 0.84 | ALDH1A1 (0.33) | CHRNB2CHRNA7CHRNA4ALDH1A1 | |
| SCHEMBL28358596 | 0.83 | CHRNB2 (0.46) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL28542197 | 0.81 | CHRNB2 (0.44) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL15958842 | 0.81 | CHRNB2 (0.44) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL28358773 | 0.80 | CHRNB2 (0.43) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL28358578 | 0.80 | CHRNB2 (0.43) | CHRNB2CHRNA7CHRNA4S1PR1S1PR3 | |
| SCHEMBL9692949 | 0.80 | NOS3 (0.43) | CHRNB2CHRNA7CHRNA4ALDH1A1 |
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-6683179-B2 | Preparation of caprolactam | BASF AKTIENGESELLSCHAFT (DE) | 2004-01-27 | — | — | US | disclosed |
| US-20030105322-A1 | Method for producing caprolactam on the basis of 6-aminocapronitrile and subsequent purification by crystallization | WURTZEL, ALAN | 2003-06-05 | — | — | US | disclosed |
| EP-1280767-A1 | METHOD FOR PRODUCING CAPROLACTAM ON THE BASIS OF 6-AMINOCAPRONITRILE AND SUBSEQUENT PURIFICATION BY CRYSTALLIZATION | BASF AKTIENGESELLSCHAFT (DE) | 2003-02-05 | — | — | EP | disclosed |
| WO-2001083443-A1 | METHOD FOR PRODUCING CAPROLACTAM ON THE BASIS OF 6-AMINOCAPRONITRILE AND SUBSEQUENT PURIFICATION BY CRYSTALLIZATION | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-08 | — | — | WO | disclosed |