Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 6/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 6/20 | 0.52 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20512962 | 0.85 | SELL (0.42) | AKR1C2AKR1C1AKR1C4AKR1C3HCAR2 | |
| SCHEMBL392397 | 0.82 | TSHR (0.48) | AKR1C2AKR1C1AKR1C4AKR1C3HCAR2 | |
| SCHEMBL7067360 | 0.81 | SELL (0.50) | ALDH1A1HSD17B10KDM4EMEN1KMT2A | |
| SCHEMBL29157397 | 0.78 | HCAR2 (0.39) | AKR1C2AKR1C1AKR1C4AKR1C3HCAR2 | |
| SCHEMBL535543 | 0.78 | HAVCR2 (0.47) | AKR1C2AKR1C1AKR1C4AKR1C3HCAR2 | |
| SCHEMBL15758062 | 0.78 | HCAR2 (0.46) | AKR1C2AKR1C1AKR1C4AKR1C3HCAR2 | |
| SCHEMBL2681685 | 0.77 | — | — | |
| SCHEMBL15334246 | 0.76 | AKR1C3 (0.50) | AKR1C2AKR1C1AKR1C4AKR1C3HCAR2 | |
| SCHEMBL31538840 | 0.76 | KDM4E (0.53) | HCAR2ALDH1A1HSD17B10KDM4EMEN1 | |
| SCHEMBL9311927 | 0.76 | KDM4E (0.50) | HCAR2ALDH1A1HSD17B10KDM4EKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110483388-B | Preparation method of nicotinic acid derivative | 新发药业有限公司 | 2020-08-04 | — | — | CN | disclosed |
| CN-110483388-B | Preparation method of nicotinic acid derivative | 新发药业有限公司 | 2020-08-04 | — | — | CN | disclosed |