Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 2/20 | 0.32 |
| ▸ | TSPO | P30536 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9317664 | 0.82 | ACHE (0.52) | ACHETSHRLMNAALOX12ALDH1A1 | |
| SCHEMBL52125 | 0.80 | TSHR (0.44) | ACHETSHRLMNAALOX12ALDH1A1 | |
| SCHEMBL28278745 | 0.80 | TSHR (0.44) | ACHETSHRLMNAALOX12ALDH1A1 | |
| SCHEMBL28040846 | 0.78 | CYP1A2 (0.40) | ACHETSHRLMNAALOX12CYP2A6 | |
| SCHEMBL9318204 | 0.78 | ACHE (0.56) | ACHETSHRLMNAALOX12ALDH1A1 | |
| SCHEMBL27853772 | 0.77 | TSHR (0.44) | ACHETSHRLMNAALOX12ALDH1A1 | |
| SCHEMBL28055209 | 0.77 | TSHR (0.44) | ACHETSHRLMNAALOX12ALDH1A1 | |
| Chloromethane SCHEMBL28762557 | 0.77 | TSHR (0.44) | ACHETSHRLMNAALOX12ALDH1A1 | |
| SCHEMBL27886354 | 0.77 | ACHE (0.35) | ACHETSHRLMNAALOX12ALDH1A1 | |
| Hydrochloric Acid SCHEMBL15122374 | 0.76 | TSHR (0.41) | ACHETSHRLMNAALOX12ALDH1A1 |
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-102666561-B | Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement | SUMITOMO CHEMICAL CO.,LTD. (JP) | 2015-11-25 | — | — | CN | disclosed |