Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30554744 | 1.00 | NTRK1 (0.38) | NTRK1NTRK2CA1CA2ABCG2 | |
| SCHEMBL29227267 | 0.85 | CYP1A2 (0.37) | NTRK1NTRK2ABCG2MEN1MAPT | |
| SCHEMBL30554741 | 0.81 | ABCG2 (0.39) | NTRK1NTRK2ABCG2MAOBHDAC4 | |
| SCHEMBL29227271 | 0.81 | ABCG2 (0.39) | NTRK1NTRK2ABCG2MAOBHDAC4 | |
| SCHEMBL29227269 | 0.80 | IDO1 (0.38) | CA1CA2ABCG2MAOBHDAC4 | |
| SCHEMBL28696774 | 0.80 | ABCG2 (0.43) | NTRK1NTRK2ABCG2MAOBHDAC4 | |
| SCHEMBL30307098 | 0.77 | NTRK1 (0.47) | NTRK1NTRK2ABCG2HDAC4HDAC2 | |
| SCHEMBL25436806 | 0.73 | MEN1 (0.43) | MAOBBACE1MEN1MAPTKMT2A | |
| SCHEMBL25277498 | 0.73 | ALDH1A1 (0.43) | NTRK1NTRK2ABCG2MEN1MAPT | |
| SCHEMBL28078075 | 0.73 | ALOX5 (0.43) | NTRK1NTRK2ABCG2MAOBHDAC4 |
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-116535293-A | Y-type bromopyrene intermediate and derivative, preparation method and application thereof | 广东工业大学 | 2023-08-04 | — | — | CN | disclosed |