Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 7/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| Tridecan-1-Ol SCHEMBL27864773 | 0.91 | TSHR (0.59) | ALDH1A1TSHRSMN1; SMN2LMNAMEN1 | |
| Myristyl Alcohol SCHEMBL29236218 | 0.91 | TSHR (0.59) | ALDH1A1TSHRSMN1; SMN2LMNAMEN1 | |
| Dodecanol SCHEMBL27984993 | 0.91 | TSHR (0.59) | ALDH1A1TSHRSMN1; SMN2LMNAMEN1 | |
| Butane SCHEMBL21054076 | 0.87 | TSHR (0.42) | ALDH1A1TSHRSMN1; SMN2LMNAMEN1 | |
| Dodecylamine SCHEMBL28159062 | 0.85 | DNM1 (0.52) | ALDH1A1TSHRLMNAMEN1KMT2A | |
| SCHEMBL28084204 | 0.84 | ACHE (0.46) | ALDH1A1TSHRSMN1; SMN2MEN1KMT2A | |
| Methyl Alcohol SCHEMBL27958426 | 0.81 | TSHR (0.39) | ALDH1A1TSHRMEN1KMT2A | |
| Ethane SCHEMBL5065164 | 0.81 | TSHR (0.39) | ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL2325 | 0.81 | — | — | |
| Propylamine SCHEMBL4612746 | 0.80 | TSHR (0.37) | ALDH1A1TSHRMEN1KMT2ATHRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-105541643-A | Preparation method of polymerizable organic amine cation shale hydration inhibitor | UNIV SOUTHWEST PETROLEUM | 2016-05-04 | — | — | CN | disclosed |