Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28552308 | 0.82 | TDP1 (0.70) | TDP1MAPTPOLBPKMCA2 | |
| SCHEMBL17064308 | 0.72 | MEN1 (0.39) | TDP1MAPTCA12CA1CA9 | |
| Butane SCHEMBL9586852 | 0.72 | VCAM1 (0.84) | TDP1MAPTPOLBPKMCA2 | |
| SCHEMBL28092192 | 0.71 | TDP1 (0.49) | TDP1MAPTPOLBPKMCA2 | |
| SCHEMBL1959419 | 0.71 | SMN1; SMN2 (0.62) | TDP1MAPTPOLBPKMCA2 | |
| Oryzalin SCHEMBL55377 | 0.71 | TDP1 (1.00) | TDP1MAPTPOLBPKMCA2 | |
| Oryzalin SCHEMBL8536571 | 0.71 | TDP1 (1.00) | TDP1MAPTPOLBPKMCA2 | |
| SCHEMBL11748283 | 0.70 | KIF18A (0.48) | MAPTVCAM1SMN1; SMN2HCAR3ALDH1A1 | |
| Oryzalin SCHEMBL28906635 | 0.70 | TDP1 (0.97) | TDP1MAPTPOLBPKMCA2 | |
| Oryzalin SCHEMBL28500496 | 0.70 | TDP1 (0.97) | TDP1MAPTPOLBPKMCA2 |
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-109020846-B | O-substituted tyrosine Bcl-2 protein inhibitor, preparation method and application thereof | 山东大学 | 2020-12-29 | — | — | CN | disclosed |