Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL222221 | 0.81 | ALDH1A1 (0.74) | ALDH1A1TDP1MAPK1PKMHTT | |
| Water SCHEMBL10349944 | 0.78 | CA2 (0.57) | ALDH1A1TDP1MAPK1CA1CA2 | |
| SCHEMBL1673513 | 0.78 | CA2 (0.57) | ALDH1A1TDP1MAPK1CA1CA2 | |
| Water SCHEMBL11592742 | 0.78 | ALDH1A1 (0.70) | ALDH1A1TDP1MAPK1PKMHTT | |
| Water SCHEMBL11592745 | 0.78 | ALDH1A1 (0.70) | ALDH1A1TDP1MAPK1PKMHTT | |
| SCHEMBL13582530 | 0.77 | CES2 (0.48) | CA1CA2CA12CA4CA9 | |
| SCHEMBL3838955 | 0.77 | SRD5A2 (0.48) | ALDH1A1MAPK1CA1CA2CA12 | |
| Formic Acid SCHEMBL28150588 | 0.76 | CA12 (0.46) | CA1CA2CA12CA4CA9 | |
| SCHEMBL28615735 | 0.75 | ALDH1A1 (0.65) | ALDH1A1TDP1MAPK1 | |
| Formic Acid SCHEMBL28050738 | 0.75 | PARP10 (0.44) | ALDH1A1TDP1CA1CA2CA12 |
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-113382987-B | AIE compounds with fluorescent, photoacoustic and Raman properties | 香港科技大学 | 2023-09-01 | — | — | CN | disclosed |
| CN-113382987-A | AIE compounds with fluorescent, photoacoustic and Raman properties | 香港科技大学 | 2021-09-10 | — | — | CN | disclosed |