Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 6/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL2904552 | 0.91 | CES1 (0.58) | SRCCES1TSHRTDP1ALOX15 | |
| SCHEMBL637241 | 0.91 | CES1 (0.58) | SRCCES1TSHRTDP1ALOX15 | |
| SCHEMBL32681153 | 0.91 | CES1 (0.58) | SRCCES1TSHRTDP1ALOX15 | |
| SCHEMBL31097912 | 0.91 | CES1 (0.58) | SRCCES1TSHRTDP1ALOX15 | |
| SCHEMBL414466 | 0.91 | CES1 (0.58) | SRCCES1TSHRTDP1ALOX15 | |
| SCHEMBL7684 | 0.91 | CES1 (0.58) | SRCCES1TSHRTDP1ALOX15 | |
| Water SCHEMBL733811 | 0.89 | CES1 (0.56) | SRCCES1TSHRTDP1ALOX15 | |
| Ammonia Solution, Strong SCHEMBL11444696 | 0.89 | CES1 (0.56) | SRCCES1TSHRTDP1ALOX15 | |
| SCHEMBL3946454 | 0.89 | CES1 (0.56) | SRCCES1TSHRTDP1ALOX15 | |
| Water SCHEMBL18124365 | 0.89 | CES1 (0.56) | SRCCES1TSHRTDP1ALOX15 |
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-113784755-B | Salts of isochroman-based compounds, crystalline forms thereof, methods of preparation, therapeutic uses and pharmaceutical compositions | 赛诺维信制药公司 | 2024-05-10 | — | — | CN | disclosed |