Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 8/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16546689 | 0.82 | ACHE (0.58) | ACHEMEN1KMT2ANPSR1RAB9A | |
| SCHEMBL78061 | 0.79 | ACHE (0.51) | ACHERAB9ATRPV1BCHELMNA | |
| SCHEMBL9858469 | 0.79 | TDP1 (0.50) | ACHEMEN1KMT2ANPSR1RAB9A | |
| SCHEMBL16722882 | 0.77 | BCHE (0.59) | ACHEBCHE | |
| Carbamic Acid SCHEMBL79072 | 0.74 | TRPV1 (0.47) | ACHEMEN1KMT2ARAB9ATRPV1 | |
| SCHEMBL14439401 | 0.74 | CYP3A4 (0.50) | ACHEMEN1KMT2ATRPV1LMNA | |
| SCHEMBL338192 | 0.74 | CYP3A4 (0.65) | ACHEMEN1KMT2ATRPV1LMNA | |
| SCHEMBL27529192 | 0.73 | CYP3A4 (0.40) | ACHERAB9ATRPV1LMNARAF1 | |
| SCHEMBL12043586 | 0.72 | ACHE (0.55) | ACHERAB9ATRPV1BCHELMNA | |
| SCHEMBL80101 | 0.72 | MEN1 (0.66) | ACHEMEN1KMT2ARAB9ATRPV1 |
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-0050739-B1 | METHOD FOR THE PREPARATION OF ALIPHATIC ISOCYANATES | BASF Aktiengesellschaft (DE) | 1983-11-02 | — | — | EP | disclosed |
| US-4354979-A | Preparation of aliphatic isocyanates | BASF AKTIENGESELLSCHAFT (DE) | 1982-10-19 | — | — | US | disclosed |
| EP-0050739-A1 | Method for the preparation of aliphatic isocyanates | BASF Aktiengesellschaft (DE) | 1982-05-05 | — | — | EP | disclosed |