Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 6/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA3 | P07451 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA6 | P23280 | 2/20 | 0.42 |
| ▸ | CA5A | P35218 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL31460438 | 0.97 | NFKB1 (0.39) | DNM1CA12CA1CA2CA3 | |
| SCHEMBL27557750 | 0.89 | NFKB1 (0.33) | DNM1CA12CA1CA2CA3 | |
| SCHEMBL27263110 | 0.77 | NPC1 (0.42) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL28301789 | 0.76 | — | — | |
| SCHEMBL14980604 | 0.74 | — | — | |
| SCHEMBL28733275 | 0.72 | NFKB1 (0.35) | DNM1CA12CA1CA2CA3 | |
| Potassium Ion SCHEMBL29265307 | 0.65 | DNM1 (0.80) | DNM1CA12CA1CA2CA3 | |
| Water SCHEMBL28293288 | 0.65 | — | — | |
| Water SCHEMBL10535279 | 0.65 | DNM1 (0.80) | DNM1CA12CA1CA2CA3 | |
| SCHEMBL25262966 | 0.65 | DNM1 (1.00) | DNM1CA12CA1CA2CA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1697298-B1 | PROCESS FOR PRODUCING HEXAMETHYLENEDIAMINE AND AMINOCAPRONITRILE FROM ADIPONITRILE, WHEREIN THE HEXAMETHYLENEDIAMINE CONTAINS LESS THAN 200 PPM TETRAHYDROAZEPINE | INVISTA TECH SARL (CH) | 2008-11-19 | — | — | EP | disclosed |
| EP-1261580-A1 | METHOD FOR SEPARATING AN AZEPINE DERIVATIVE OUT OF A MIXTURE CONTAINING AN AMINE AND AN AZEPINE DERIVATIVE | BASF AKTIENGESELLSCHAFT (DE) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001066514-A1 | METHOD FOR SEPARATING AN AZEPINE DERIVATIVE OUT OF A MIXTURE CONTAINING AN AMINE AND AN AZEPINE DERIVATIVE | BASF AKTIENGESELLSCHAFT (DE) | 2001-09-13 | — | — | WO | disclosed |