Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 3/20 | 0.42 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL22288296 | 0.95 | ALDH1A1 (0.65) | ALDH1A1TDP1MAPK1ACHETSHR | |
| SCHEMBL249769 | 0.83 | — | — | |
| Bromobenzene SCHEMBL6427476 | 0.80 | ALDH1A1 (0.69) | ALDH1A1TDP1MAPK1ACHETSHR | |
| SCHEMBL6291138 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TDP1MAPK1ACHETSHR | |
| SCHEMBL30423254 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TDP1MAPK1ACHETSHR | |
| SCHEMBL13799168 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TDP1MAPK1ACHETSHR | |
| SCHEMBL22384034 | 0.77 | ALDH1A1 (0.65) | ALDH1A1TDP1MAPK1ACHETSHR | |
| Bromobenzene SCHEMBL1997962 | 0.76 | — | — | |
| SCHEMBL156099 | 0.76 | — | — | |
| Bromobenzene SCHEMBL27395923 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0657425-A1 | Process for the preparation of chiral aminoalcohols | Degussa Aktiengesellschaft (DE) | 1995-06-14 | — | — | EP | disclosed |