Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28915270 | 1.00 | CYP1A2 (0.47) | CYP1A2TRPV1CA1CA2MAPT | |
| SCHEMBL8058606 | 0.85 | PTGS1 (0.47) | CYP1A2ALDH1A1HDAC1 | |
| SCHEMBL8058602 | 0.85 | PTGS1 (0.47) | CYP1A2ALDH1A1HDAC1 | |
| SCHEMBL1999710 | 0.82 | MAPT (0.53) | CYP1A2TRPV1MAPTALDH1A1KDM4E | |
| SCHEMBL1999709 | 0.82 | MAPT (0.53) | CYP1A2TRPV1MAPTALDH1A1KDM4E | |
| SCHEMBL9609534 | 0.82 | CYP1A2 (0.53) | CYP1A2TRPV1CA1CA2MAPT | |
| SCHEMBL10277228 | 0.80 | TRPA1 (0.55) | CYP1A2NPC1RAB9AHDAC1 | |
| SCHEMBL9335450 | 0.80 | KDM4E (0.55) | CA1CA2MAPTALDH1A1KDM4E | |
| SCHEMBL2005650 | 0.80 | AKR1C3 (0.62) | CYP1A2TRPV1CA1CA2MAPT | |
| SCHEMBL2005648 | 0.80 | AKR1C3 (0.62) | CYP1A2TRPV1CA1CA2MAPT |
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-111253236-B | Preparation method of high-quality para-lilial | 宿迁科思化学有限公司 | 2022-11-18 | — | — | CN | disclosed |