Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.68 |
| ▸ | NPC1 | O15118 | 2/20 | 0.68 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 7/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | 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 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CCR3 | P51677 | 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 | |
|---|---|---|---|---|
| SCHEMBL29520052 | 0.89 | MEN1 (0.66) | RAB9ANPC1MEN1KMT2AMAPT | |
| SCHEMBL29519683 | 0.89 | MEN1 (0.60) | RAB9ANPC1ALOX5MEN1KMT2A | |
| SCHEMBL29519693 | 0.83 | RAB9A (0.67) | RAB9ANPC1ALOX5MEN1KMT2A | |
| SCHEMBL21993751 | 0.83 | SMARCA4 (0.60) | RAB9ANPC1ALOX5MEN1KMT2A | |
| SCHEMBL29520059 | 0.81 | MEN1 (0.65) | RAB9ANPC1ALOX5MEN1KMT2A | |
| SCHEMBL14882372 | 0.81 | RAB9A (1.00) | RAB9ANPC1ALOX5MEN1KMT2A | |
| SCHEMBL21992755 | 0.81 | RAB9A (1.00) | RAB9ANPC1ALOX5MEN1KMT2A | |
| SCHEMBL21931881 | 0.81 | RAB9A (0.64) | RAB9ANPC1ALOX5MEN1KMT2A | |
| SCHEMBL29519988 | 0.80 | MEN1 (0.67) | RAB9ANPC1ALOX5MEN1KMT2A | |
| SCHEMBL29520160 | 0.80 | NME2 (0.66) | RAB9ANPC1MEN1KMT2A |
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 |