Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.38 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL163958 | 0.82 | — | — | |
| SCHEMBL18982823 | 0.82 | — | — | |
| SCHEMBL30193793 | 0.82 | — | — | |
| SCHEMBL11445916 | 0.80 | NAAA (0.50) | ALDH1A1TSHREPHX1LMNA | |
| SCHEMBL8380004 | 0.80 | NAAA (0.50) | ALDH1A1TSHREPHX1LMNA | |
| SCHEMBL11444885 | 0.75 | ALDH1A1 (0.48) | ALDH1A1TSHREPHX1CYP1A2MAPT | |
| Tetradecylamine SCHEMBL16774862 | 0.73 | DNM1 (0.54) | CPB2DNM1MEN1KMT2AALDH1A1 | |
| Ethyl Acetate SCHEMBL28250939 | 0.73 | ALDH1A1 (0.58) | CPB2DNM1MEN1KMT2AALDH1A1 | |
| Hexadecylamine SCHEMBL28210816 | 0.73 | ALDH1A1 (0.58) | CPB2DNM1MEN1KMT2AALDH1A1 | |
| SCHEMBL8380074 | 0.72 | FAAH (0.58) | KMT2AALDH1A1MAPTLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4141915-A | REACTING AN UNSATURATED NITRILE, AN ALCOHOL, AND CARBON MONOXIDE | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1979-02-27 | — | — | US | disclosed |