Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 5/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | NME2 | P22392 | 9/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.57 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.50 |
| ▸ | TUBB | P07437 | 1/20 | 0.50 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.50 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29519827 | 0.90 | RAB9A (0.66) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL29519694 | 0.85 | MEN1 (0.66) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL29519667 | 0.83 | RAB9A (0.63) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL29519683 | 0.83 | MEN1 (0.60) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL29520052 | 0.83 | MEN1 (0.66) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL29519532 | 0.83 | RAB9A (0.68) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL11090836 | 0.81 | RAB9A (0.78) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL11090834 | 0.81 | RAB9A (0.78) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL29520160 | 0.81 | NME2 (0.66) | RAB9ANPC1MEN1KMT2ANME2 | |
| SCHEMBL21992755 | 0.80 | RAB9A (1.00) | RAB9ANPC1MEN1KMT2AKDM4E |
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 |