Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13287027 | 0.85 | ALDH1A1 (0.37) | ALDH1A1ALOX15TP53MAOB | |
| SCHEMBL7656107 | 0.82 | ALDH1A1 (0.42) | ALDH1A1CES2CES1TSHRSLC9A1 | |
| SCHEMBL29013037 | 0.80 | ALDH1A1 (0.34) | ALDH1A1ALOX15 | |
| SCHEMBL22560905 | 0.79 | CA12 (0.41) | ALDH1A1CES2CES1SLC9A1KDM4E | |
| SCHEMBL1312984 | 0.77 | TSHR (0.39) | ALDH1A1CES2CES1TSHRSLC9A1 | |
| SCHEMBL101268 | 0.76 | TSHR (0.42) | ALDH1A1CES2CES1TSHRSLC9A1 | |
| SCHEMBL22552428 | 0.74 | ALDH1A1 (0.45) | ALDH1A1CES2CES1TSHRPOLB | |
| SCHEMBL1626671 | 0.73 | SMN1; SMN2 (0.47) | ALDH1A1TSHRPOLBKDM4EMAPT | |
| SCHEMBL2704382 | 0.73 | ALDH1A1 (0.47) | ALDH1A1TSHRKDM4EMAPTTP53 | |
| SCHEMBL7931028 | 0.71 | ALDH1A1 (0.46) | ALDH1A1CES2CES1TSHRSLC9A1 |
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-118175911-A | Organic photoelectric detector based on full condensed ring small molecule electron acceptor and application thereof | 中国科学院长春应用化学研究所 | 2024-06-11 | — | — | CN | disclosed |