Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 6/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Isopentyl 2-Aminobenzoate SCHEMBL11900150 | 0.88 | ALDH1A1 (0.65) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL28589777 | 0.87 | CYP2D6 (0.55) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL31091518 | 0.87 | TDP1 (0.47) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL11285747 | 0.84 | ALDH1A1 (0.67) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL27555753 | 0.83 | ALDH1A1 (0.66) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL29754649 | 0.82 | TSHR (0.67) | ALDH1A1HSD17B10KDM4ETSHRMAPK1 | |
| SCHEMBL204946 | 0.82 | TSHR (0.67) | ALDH1A1HSD17B10KDM4ETSHRMAPK1 | |
| SCHEMBL4040621 | 0.80 | ALDH1A1 (0.77) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL2925689 | 0.79 | ALDH1A1 (0.74) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| Isopentyl 2-Aminobenzoate SCHEMBL29771127 | 0.79 | ALDH1A1 (0.51) | ALDH1A1HSD17B10KDM4EPOLBTSHR |
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-102911130-B | Method for synthesizing carbamide tetracyclic compound by means of one-pot method and synthesized carbamide tetracyclic compound | UNIV BEIJING NORMAL | 2015-05-20 | — | — | CN | disclosed |
| CN-102911130-A | Method for synthesizing carbamide tetracyclic compound by means of one-pot method and synthesized carbamide tetracyclic compound | UNIV BEIJING NORMAL | 2013-02-06 | — | — | CN | disclosed |