Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9436754 | 0.85 | PRMT1 (0.41) | CES2CES1PRMT1TSHRALDH1A1 | |
| SCHEMBL6832635 | 0.82 | CES2 (0.44) | CES2CES1PRMT1CA2CA4 | |
| SCHEMBL1174501 | 0.82 | ALDH1A1 (0.44) | CES2CES1PRMT1CA2CA4 | |
| SCHEMBL6832632 | 0.82 | CES2 (0.44) | CES2CES1PRMT1CA2CA4 | |
| SCHEMBL6206779 | 0.77 | CES2 (0.49) | CES2CES1PRMT1TSHRALDH1A1 | |
| SCHEMBL6206786 | 0.77 | CES2 (0.49) | CES2CES1PRMT1TSHRALDH1A1 | |
| SCHEMBL7549566 | 0.76 | CES2 (0.47) | CES2CES1PRMT1ALDH1A1PTPN1 | |
| SCHEMBL10591746 | 0.76 | PRMT1 (0.48) | CES2CES1PRMT1CA2CA4 | |
| SCHEMBL6206291 | 0.74 | ALOX5 (0.46) | CES2CES1PRMT1ALDH1A1ELANE | |
| SCHEMBL6205771 | 0.74 | ALOX5 (0.46) | CES2CES1PRMT1ALDH1A1ELANE |
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-102216289-A | Nicotinic acetylcholine receptor ligands and uses thereof | PSYCHOGENICS INC | 2011-10-12 | — | — | CN | disclosed |