Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 4/20 | 0.56 |
| ▸ | CA12 | O43570 | 3/20 | 0.56 |
| ▸ | CA9 | Q16790 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | PSMB8 | P28062 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.48 |
| ▸ | KCNA3 | P22001 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28539565 | 0.79 | NFKB1 (0.58) | NFKB1POLBCA12CA9SMN1; SMN2 | |
| SCHEMBL12787511 | 0.78 | PIN1 (0.59) | NFKB1POLBCA12CA9SMN1; SMN2 | |
| SCHEMBL6935903 | 0.77 | MAOA (0.63) | CA12CA9KDM4EMCL1ALDH1A1 | |
| SCHEMBL18074127 | 0.76 | KCNA3 (0.79) | NFKB1POLBCA12CA9SMN1; SMN2 | |
| SCHEMBL18788578 | 0.75 | PGR (0.60) | NFKB1POLBCA12CA9SMN1; SMN2 | |
| SCHEMBL28145932 | 0.73 | MCL1 (0.58) | NFKB1CA12CA9HPGDKDM4E | |
| SCHEMBL30486066 | 0.73 | CA12 (0.61) | CA12CA9HPGDMCL1ALDH1A1 | |
| SCHEMBL5459900 | 0.73 | CA12 (0.61) | CA12CA9HPGDMCL1ALDH1A1 | |
| SCHEMBL18074125 | 0.73 | NFKB1 (0.57) | NFKB1POLBCA12CA9SMN1; SMN2 | |
| SCHEMBL10014193 | 0.73 | PIN1 (0.61) | NFKB1POLBCA12CA9SMN1; SMN2 |
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-112552309-B | Psoralen benzene sulfonate derivative and application thereof | 中国科学院新疆理化技术研究所 | 2023-03-14 | — | — | CN | disclosed |
| CN-112552309-A | Psoralen benzene sulfonate derivative and application thereof | 中国科学院新疆理化技术研究所 | 2021-03-26 | — | — | CN | disclosed |