Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 6/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.65 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.64 |
| ▸ | NPC1 | O15118 | 2/20 | 0.62 |
| ▸ | RAB9A | P51151 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | NME2 | P22392 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29519764 | 0.88 | MEN1 (0.64) | MEN1KMT2AALOX5NPC1RAB9A | |
| SCHEMBL29519914 | 0.85 | MEN1 (0.58) | MEN1KMT2AALOX5NME2 | |
| SCHEMBL29519449 | 0.82 | NPC1 (0.62) | MEN1KMT2AALOX5NPC1RAB9A | |
| SCHEMBL29519532 | 0.81 | RAB9A (0.68) | MEN1KMT2AALOX5NPC1RAB9A | |
| SCHEMBL21993213 | 0.79 | MEN1 (0.74) | MEN1KMT2AALOX5NPC1RAB9A | |
| Isaindigotone SCHEMBL29519815 | 0.78 | ALOX5 (1.00) | MEN1KMT2AALOX5NPC1RAB9A | |
| SCHEMBL10857514 | 0.77 | MEN1 (0.60) | MEN1KMT2AALOX5NPC1RAB9A | |
| SCHEMBL10857507 | 0.77 | MEN1 (0.60) | MEN1KMT2AALOX5NPC1RAB9A | |
| SCHEMBL11082846 | 0.77 | MEN1 (0.78) | MEN1KMT2AALOX5NPC1RAB9A | |
| SCHEMBL28045596 | 0.77 | RAB9A (0.65) | MEN1KMT2AALOX5NPC1RAB9A |
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-114249733-B | Isaindigotone derivative and application thereof in preparation of antitumor drugs | 兰州大学 | 2023-05-12 | — | — | CN | disclosed |
| CN-114249733-A | Isaindigotone derivative and application thereof in preparation of antitumor drugs | 兰州大学 | 2022-03-29 | — | — | CN | disclosed |