Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 7/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.69 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.69 |
| ▸ | MEN1 | O00255 | 9/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.60 |
| ▸ | RAB9A | P51151 | 7/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 3/20 | 0.60 |
| ▸ | PKM | P14618 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | VCP | P55072 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 8/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | CASP3 | P42574 | 2/20 | 0.57 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.57 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.57 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL29654066 | 1.00 | CYP1A1 (0.69) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL205257 | 0.95 | MEN1 (0.67) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL28716328 | 0.90 | CYP1A1 (0.67) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL28713917 | 0.88 | CYP1A1 (0.70) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL28712017 | 0.84 | CYP1B1 (0.65) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL28713949 | 0.82 | CYP1A1 (0.68) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL28707184 | 0.82 | PTGS2 (0.64) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL29654148 | 0.82 | CYP1B1 (1.00) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL28716321 | 0.82 | CYP1B1 (1.00) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL10072683 | 0.78 | CYP1A1 (0.65) | CYP1A1CYP1A2CYP1B1MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114249702-A | N-aryl- [2,4 '-bithiazole ] -2' -amine compound and preparation and application thereof | 沈阳药科大学 | 2022-03-29 | — | — | CN | disclosed |