Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | TSHR | P16473 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KDM4A | O75164 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28651271 | 0.90 | ALDH1A1 (0.64) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL10886287 | 0.87 | ALDH1A1 (0.64) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL10884836 | 0.87 | ALDH1A1 (0.64) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL10883059 | 0.87 | ALDH1A1 (0.64) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL10886999 | 0.85 | TSHR (0.63) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| Hydrochloric Acid SCHEMBL27518179 | 0.84 | ALDH1A1 (0.57) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL302696 | 0.84 | TSHR (0.58) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL10888138 | 0.83 | TSHR (0.62) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL3773225 | 0.83 | ALDH1A1 (0.72) | ALDH1A1TSHRLMNACYP3A4MAPK1 | |
| SCHEMBL3779551 | 0.83 | ALDH1A1 (0.72) | ALDH1A1TSHRLMNACYP3A4MAPK1 |
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-1194396-B1 | SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS | BASF AG (DE) | 2005-11-09 | — | — | EP | claimed |