Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MASP2 | O00187 | 1/20 | 0.49 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.49 |
| ▸ | NSD2 | O96028 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.44 |
| ▸ | NPC1 | O15118 | 7/20 | 0.43 |
| ▸ | RAB9A | P51151 | 7/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | PKM | P14618 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Thiourea SCHEMBL28886021 | 0.90 | ALDH1A1 (0.55) | MAPTTDP1POLBALDH1A1MEN1 | |
| SCHEMBL460600 | 0.82 | ALDH1A1 (0.61) | POLBALDH1A1MEN1KMT2AMASP2 | |
| SCHEMBL30066621 | 0.82 | ALDH1A1 (0.61) | POLBALDH1A1MEN1KMT2AMASP2 | |
| SCHEMBL2379989 | 0.73 | CYP3A4 (0.71) | MAPTTDP1POLBALDH1A1MEN1 | |
| SCHEMBL34472005 | 0.70 | AURKA (0.59) | MAPTTDP1POLBALDH1A1MEN1 | |
| SCHEMBL6028990 | 0.70 | AURKA (0.59) | MAPTTDP1POLBALDH1A1MEN1 | |
| Benzimidazole SCHEMBL28076711 | 0.70 | MAPT (0.41) | MAPTTDP1POLBALDH1A1KDM4E | |
| SCHEMBL15798062 | 0.70 | KDM4E (0.57) | MAPTTDP1POLBALDH1A1MEN1 | |
| SCHEMBL2456205 | 0.70 | PKM (0.58) | MAPTTDP1POLBALDH1A1KMT2A | |
| 2-Mercaptobenzimidazole SCHEMBL7657245 | 0.69 | ALDH1A1 (0.50) | MAPTTDP1POLBALDH1A1MEN1 |
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-115350179-A | Application of fluorobenzimidazole thiosemicarbazide compound in antitumor drugs | 青岛科技大学 | 2022-11-18 | — | — | CN | disclosed |
| CN-115350179-A | Application of fluorobenzimidazole thiosemicarbazide compound in antitumor drugs | 青岛科技大学 | 2022-11-18 | — | — | CN | disclosed |