Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.39 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL5051719 | 0.85 | ALDH1A1 (0.61) | ALDH1A1TSHRMEN1KMT2ASMN1; SMN2 | |
| Butyl Alcohol SCHEMBL21274221 | 0.85 | ALDH1A1 (0.61) | ALDH1A1TSHRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28868885 | 0.83 | DNM1 (0.60) | ALDH1A1DNM1TSHRMEN1KMT2A | |
| Butyl Alcohol SCHEMBL6438034 | 0.83 | ALDH1A1 (0.65) | ALDH1A1TSHRMEN1KMT2ASMN1; SMN2 | |
| Butyl Alcohol SCHEMBL11495891 | 0.83 | — | — | |
| Tetradecylamine SCHEMBL28317355 | 0.81 | DNM1 (0.65) | ALDH1A1DNM1TSHRMEN1KMT2A | |
| 1,3-Propanediol SCHEMBL27804317 | 0.80 | ALDH1A1 (0.53) | ALDH1A1TSHRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28215549 | 0.80 | DNM1 (0.63) | ALDH1A1DNM1TSHRMEN1KMT2A | |
| Butyl Alcohol SCHEMBL4906832 | 0.80 | ALDH1A1 (0.61) | ALDH1A1TSHRMEN1KMT2ASMN1; SMN2 | |
| Butyl Alcohol SCHEMBL28552248 | 0.80 | ALDH1A1 (0.69) | ALDH1A1DNM1TSHRMEN1KMT2A |
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-0766675-A4 | IMPROVED CHICHIBABIN AMINATIONS OF PYRIDINE BASES | REILLY IND INC (US) | 1997-09-24 | — | — | EP | disclosed |
| EP-0766675-A1 | IMPROVED CHICHIBABIN AMINATIONS OF PYRIDINE BASES | REILLY INDUSTRIES, INC. (US) | 1997-04-09 | — | — | EP | disclosed |
| WO-1996000216-A1 | IMPROVED CHICHIBABIN AMINATIONS OF PYRIDINE BASES | REILLY INDUSTRIES, INC. (US) | 1996-01-04 | — | — | WO | disclosed |