Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.78 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.70 |
| ▸ | MEN1 | O00255 | 4/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | CES1 | P23141 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | PDE5A | O76074 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| 4-Nitrobenzoic Acid SCHEMBL8766543 | 0.88 | TDP1 (0.91) | TDP1SRD5A2MEN1KMT2AMAPK1 | |
| 4-Nitrobenzoic Acid SCHEMBL43476 | 0.88 | TDP1 (1.00) | TDP1SRD5A2MEN1KMT2AMAPK1 | |
| Terephthalic Acid SCHEMBL28023943 | 0.88 | TDP1 (1.00) | TDP1SRD5A2MEN1KMT2AMAPK1 | |
| 4-Nitrobenzoic Acid SCHEMBL29035607 | 0.86 | TDP1 (0.88) | TDP1SRD5A2MEN1KMT2AMAPK1 | |
| 4-Nitrobenzoic Acid SCHEMBL17332086 | 0.86 | TDP1 (0.95) | TDP1SRD5A2MEN1KMT2AMAPK1 | |
| 4-Nitrobenzoic Acid SCHEMBL11331124 | 0.86 | TDP1 (0.95) | TDP1SRD5A2MEN1KMT2AMAPK1 | |
| 4-Nitrobenzoic Acid SCHEMBL9316553 | 0.86 | TDP1 (0.95) | TDP1SRD5A2MEN1KMT2AMAPK1 | |
| 4-Nitrobenzoic Acid SCHEMBL7553997 | 0.86 | TDP1 (0.95) | TDP1SRD5A2MEN1KMT2AMAPK1 | |
| 4-Nitrobenzoic Acid SCHEMBL1566327 | 0.86 | TDP1 (0.95) | TDP1SRD5A2MEN1KMT2AMAPK1 | |
| 4-Nitrobenzoic Acid SCHEMBL11773857 | 0.86 | TDP1 (0.95) | TDP1SRD5A2MEN1KMT2AMAPK1 |
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-117304125-A | EuK dimer compound targeting PSMA, and pharmaceutically acceptable salt and application thereof | 北京师范大学 | 2023-12-29 | — | — | CN | disclosed |
| CN-116444499-A | Phenylalanine derivative containing 4-quinazolinone and preparation method and application thereof | 山东大学 | 2023-07-18 | — | — | CN | disclosed |